N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide

C13H14N2OS — CID 110696183

IUPACN-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1nc(C)cs1
InChIInChI=1S/C13H14N2OS/c1-3-10-6-4-5-7-11(10)15-12(16)13-14-9(2)8-17-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyDPMPRDMKKBFMFE-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.27
Rot. Bonds3

About N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide

N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 110696183) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID110696183
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1nc(C)cs1
InChIInChI=1S/C13H14N2OS/c1-3-10-6-4-5-7-11(10)15-12(16)13-14-9(2)8-17-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyDPMPRDMKKBFMFE-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696235
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
(E)-3-(2-ethylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811777
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696253
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 110696183) is N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is CCc1ccccc1NC(=O)c1nc(C)cs1.
What is the InChIKey of N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is DPMPRDMKKBFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-10-6-4-5-7-11(10)15-12(16)13-14-9(2)8-17-13/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).