4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 96550906

IUPAC4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C[C@@H](NC(=O)c2scnc2C)c2ccccn2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)11-17(16-5-3-4-10-20-16)22-19(23)18-14(2)21-12-24-18/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyYWVYVZHYGKGUNA-QGZVFWFLSA-N
MW337.45 g/mol
LogP3.87
Rot. Bonds5

About 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 96550906) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
PubChem CID96550906
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C[C@@H](NC(=O)c2scnc2C)c2ccccn2)cc1
InChIInChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)11-17(16-5-3-4-10-20-16)22-19(23)18-14(2)21-12-24-18/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyYWVYVZHYGKGUNA-QGZVFWFLSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 102673756
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119887634
N-[2-(4-methoxyphenyl)-1-pyridin-2-ylethyl]furan-2-carboxamide
CID 21157115
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide (CID 96550906) is 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(C[C@@H](NC(=O)c2scnc2C)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YWVYVZHYGKGUNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-6-8-15(9-7-13)11-17(16-5-3-4-10-20-16)22-19(23)18-14(2)21-12-24-18/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 96550906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).