4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H18N2OS2 — CID 26648334

IUPAC4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C18H18N2OS2/c1-11-6-4-5-7-15(11)12(2)19-17(21)16-13(3)20-18(23-16)14-8-9-22-10-14/h4-10,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyNEUCAUOCOVTBIM-GFCCVEGCSA-N
MW342.49 g/mol
LogP4.98
Rot. Bonds4

About 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 26648334) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID26648334
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C18H18N2OS2/c1-11-6-4-5-7-15(11)12(2)19-17(21)16-13(3)20-18(23-16)14-8-9-22-10-14/h4-10,12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyNEUCAUOCOVTBIM-GFCCVEGCSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 43013699
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427714
propan-2-yl 3-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]-3-(2-nitrophenyl)propanoate
CID 46637756
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
[1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 26648334) is 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NEUCAUOCOVTBIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-11-6-4-5-7-15(11)12(2)19-17(21)16-13(3)20-18(23-16)14-8-9-22-10-14/h4-10,12H,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26648334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).