N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol

C7H12N2O2S — CID 90101890

IUPACN,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
SMILESCNC(=O)c1csc(C)n1.CO
InChIInChI=1S/C6H8N2OS.CH4O/c1-4-8-5(3-10-4)6(9)7-2;1-2/h3H,1-2H3,(H,7,9);2H,1H3
InChIKeyZFVDXBZHNKZGIJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.42
Rot. Bonds1

About N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol

N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol (PubChem CID 90101890) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol.

Molecular Properties

Compound NameN,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
PubChem CID90101890
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
SMILESCNC(=O)c1csc(C)n1.CO
InChIInChI=1S/C6H8N2OS.CH4O/c1-4-8-5(3-10-4)6(9)7-2;1-2/h3H,1-2H3,(H,7,9);2H,1H3
InChIKeyZFVDXBZHNKZGIJ-UHFFFAOYSA-N
XLogP0.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103933370
[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 65214512
2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 130670811
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130906323
2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 90550228

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol?
The IUPAC name of N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol (CID 90101890) is N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol.
What is the SMILES notation for N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol?
The canonical SMILES for N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol is CNC(=O)c1csc(C)n1.CO.
What is the InChIKey of N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol?
The InChIKey is ZFVDXBZHNKZGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.CH4O/c1-4-8-5(3-10-4)6(9)7-2;1-2/h3H,1-2H3,(H,7,9);2H,1H3.
What are the key properties of N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol?
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol has a molecular weight of 188.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol is sourced from PubChem (CID 90101890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).