1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide

C20H25N3O2S — CID 71882911

IUPAC1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CC(C(N)=O)CCC3C)s2)c(C)c1
InChIInChI=1S/C20H25N3O2S/c1-11-5-8-16(12(2)9-11)19-22-14(4)17(26-19)20(25)23-10-15(18(21)24)7-6-13(23)3/h5,8-9,13,15H,6-7,10H2,1-4H3,(H2,21,24)
InChIKeyWWQYPMSLQSEOHU-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.46
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide

1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 71882911) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID71882911
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CC(C(N)=O)CCC3C)s2)c(C)c1
InChIInChI=1S/C20H25N3O2S/c1-11-5-8-16(12(2)9-11)19-22-14(4)17(26-19)20(25)23-10-15(18(21)24)7-6-13(23)3/h5,8-9,13,15H,6-7,10H2,1-4H3,(H2,21,24)
InChIKeyWWQYPMSLQSEOHU-UHFFFAOYSA-N
XLogP3.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
(2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 99639718
ethyl (2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylate
CID 52853298
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 49023661
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540319
(3S,6S)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585455
(3R,6R)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146623
(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide (CID 71882911) is 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N3CC(C(N)=O)CCC3C)s2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is WWQYPMSLQSEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-11-5-8-16(12(2)9-11)19-22-14(4)17(26-19)20(25)23-10-15(18(21)24)7-6-13(23)3/h5,8-9,13,15H,6-7,10H2,1-4H3,(H2,21,24).
What are the key properties of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide?
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 71882911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).