N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide

C12H12N2OS — CID 110649635

IUPACN,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)c2ccccc2)cs1
InChIInChI=1S/C12H12N2OS/c1-9-13-11(8-16-9)12(15)14(2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyKZKZXKSOHDXBTH-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.73
Rot. Bonds2

About N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide

N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110649635) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110649635
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)c2ccccc2)cs1
InChIInChI=1S/C12H12N2OS/c1-9-13-11(8-16-9)12(15)14(2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyKZKZXKSOHDXBTH-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 65200020
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 65200054
1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
CID 105093182
N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 65199177
N-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 91235694
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-methyl-1,3-thiazol-4-yl)methanone
CID 122270357
N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866947
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 71792859
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide (CID 110649635) is N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)c2ccccc2)cs1.
What is the InChIKey of N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is KZKZXKSOHDXBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-13-11(8-16-9)12(15)14(2)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide?
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).