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

C19H23N3O2S — CID 47085113

IUPAC1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-11-4-5-15(12(2)10-11)18-21-13(3)16(25-18)19(24)22-8-6-14(7-9-22)17(20)23/h4-5,10,14H,6-9H2,1-3H3,(H2,20,23)
InChIKeyQXBCJKSMCQVTOZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.07
Rot. Bonds3

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

1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 47085113) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID47085113
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-11-4-5-15(12(2)10-11)18-21-13(3)16(25-18)19(24)22-8-6-14(7-9-22)17(20)23/h4-5,10,14H,6-9H2,1-3H3,(H2,20,23)
InChIKeyQXBCJKSMCQVTOZ-UHFFFAOYSA-N
XLogP3.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.07
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]-6-methylpiperidine-3-carboxamide
CID 71882911
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540319
(2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 99639718
(3-anilinopyrrolidin-1-yl)-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 56503064
ethyl (2S)-1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-2-carboxylate
CID 52853298
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 53100773
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261
[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59337873
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (CID 47085113) is 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is QXBCJKSMCQVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-4-5-15(12(2)10-11)18-21-13(3)16(25-18)19(24)22-8-6-14(7-9-22)17(20)23/h4-5,10,14H,6-9H2,1-3H3,(H2,20,23).
What are the key properties of 1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.07, 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]piperidine-4-carboxamide is sourced from PubChem (CID 47085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).