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

C12H12N2OS — CID 17398194

IUPACN-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-2-13-11(15)10-8-16-12(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,15)
InChIKeyGPFNPUWUYHMFEX-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.56
Rot. Bonds3

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

N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 17398194) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID17398194
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-2-13-11(15)10-8-16-12(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,15)
InChIKeyGPFNPUWUYHMFEX-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 17398194) is N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is GPFNPUWUYHMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-13-11(15)10-8-16-12(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,15).
What are the key properties of N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17398194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).