N-benzyl-4-methyl-1,3-thiazole-2-carboxamide

C12H12N2OS — CID 10399050

IUPACN-benzyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-9-8-16-12(14-9)11(15)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,15)
InChIKeyZFDSIFSDOSJXLG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.38
Rot. Bonds3

About N-benzyl-4-methyl-1,3-thiazole-2-carboxamide

N-benzyl-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 10399050) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-benzyl-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID10399050
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-benzyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-9-8-16-12(14-9)11(15)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,15)
InChIKeyZFDSIFSDOSJXLG-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71911030
N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 87050229
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-benzyl-4-methyl-1,3-thiazole-2-carboxamide (CID 10399050) is N-benzyl-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZFDSIFSDOSJXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-8-16-12(14-9)11(15)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,15).
What are the key properties of N-benzyl-4-methyl-1,3-thiazole-2-carboxamide?
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10399050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).