Home Other Building Blocks 4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride

4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride

CAS No.:
1170432-25-3
Catalog Number:
AG019ITU
Molecular Formula:
C16H18ClN3S
Molecular Weight:
319.8522
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Product Description
Catalog Number:
AG019ITU
Chemical Name:
4-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine hydrochloride
CAS Number:
1170432-25-3
Molecular Formula:
C16H18ClN3S
Molecular Weight:
319.8522
MDL Number:
MFCD08447173
IUPAC Name:
4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride
InChI:
InChI=1S/C16H17N3S.ClH/c1-11-8-14(15-10-20-16(17)18-15)12(2)19(11)9-13-6-4-3-5-7-13;/h3-8,10H,9H2,1-2H3,(H2,17,18);1H
InChI Key:
YBNCXSBJGQVORN-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1cc(n(c1C)Cc1ccccc1)C.Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.091g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
319.851g/mol
Monoisotopic Mass:
319.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties