Home Other Building Blocks 3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid

3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid

CAS No.:
893725-49-0
Catalog Number:
AG01A0O0
Molecular Formula:
C12H17N3O3S
Molecular Weight:
283.3467
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Product Description
Catalog Number:
AG01A0O0
Chemical Name:
3-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid
CAS Number:
893725-49-0
Molecular Formula:
C12H17N3O3S
Molecular Weight:
283.3467
MDL Number:
MFCD07364248
IUPAC Name:
4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H17N3O3S/c16-9(6-7-10(17)18)13-12-15-14-11(19-12)8-4-2-1-3-5-8/h8H,1-7H2,(H,17,18)(H,13,15,16)
InChI Key:
ZQAOOAKZUGRPJV-UHFFFAOYSA-N
SMILES:
O=C(Nc1nnc(s1)C1CCCCC1)CCC(=O)O
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.346g/mol
Monoisotopic Mass:
283.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties