4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide

C12H12N2OS — CID 121438076

IUPAC4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCCc1nc(C(N)=O)sc1-c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(14-9)11(13)15/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyDMDSAUMGZBGGPQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.47
Rot. Bonds3

About 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide

4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 121438076) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
PubChem CID121438076
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCCc1nc(C(N)=O)sc1-c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(14-9)11(13)15/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyDMDSAUMGZBGGPQ-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
CID 79007291
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide
CID 141278805
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 64715397
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991
1,1'-biphenyl;propanamide
CID 155213147
2-[5-(3-aminophenyl)-4-ethyl-1,3-thiazol-2-yl]guanidine
CID 18323093

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide (CID 121438076) is 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide is CCc1nc(C(N)=O)sc1-c1ccccc1.
What is the InChIKey of 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is DMDSAUMGZBGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(14-9)11(13)15/h3-7H,2H2,1H3,(H2,13,15).
What are the key properties of 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide?
4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121438076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).