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162651-10-7 | 5-Thiazolecarboxylic acid, 2-(cyclopropylamino)-4-methyl-
CAS No: 162651-10-7 Catalog No: AG001TAX MDL No:MFCD13176391
Product Description
Catalog Number:
AG001TAX
Chemical Name:
5-Thiazolecarboxylic acid, 2-(cyclopropylamino)-4-methyl-
CAS Number:
162651-10-7
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD13176391
IUPAC Name:
2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2S/c1-4-6(7(11)12)13-8(9-4)10-5-2-3-5/h5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChI Key:
MSFNCZKXXFXTHP-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)NC1CC1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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