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Home Other Building Blocks 1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-

1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-

CAS No.:
100987-89-1
Catalog Number:
AG0003DM
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
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Product Description
Catalog Number:
AG0003DM
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-
CAS Number:
100987-89-1
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD02032690
IUPAC Name:
5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3S/c1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10/h3-7H,1-2H3,(H2,12,14)
InChI Key:
QEKWMJDRQOKJJS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc(s1)N)C
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties