1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

C20H25N3O2S — CID 17143902

IUPAC1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3C)c(C)s2)CC1
InChIInChI=1S/C20H25N3O2S/c1-12-5-6-17(13(2)11-12)18-14(3)26-20(21-18)22-19(25)16-7-9-23(10-8-16)15(4)24/h5-6,11,16H,7-10H2,1-4H3,(H,21,22,25)
InChIKeyGZXKUUCKVFQNPR-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.93
Rot. Bonds3

About 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 17143902) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID17143902
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3C)c(C)s2)CC1
InChIInChI=1S/C20H25N3O2S/c1-12-5-6-17(13(2)11-12)18-14(3)26-20(21-18)22-19(25)16-7-9-23(10-8-16)15(4)24/h5-6,11,16H,7-10H2,1-4H3,(H,21,22,25)
InChIKeyGZXKUUCKVFQNPR-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
(1S,6R)-6-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7310036
1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 108804450
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748319
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 17143902) is 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3C)c(C)s2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is GZXKUUCKVFQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-12-5-6-17(13(2)11-12)18-14(3)26-20(21-18)22-19(25)16-7-9-23(10-8-16)15(4)24/h5-6,11,16H,7-10H2,1-4H3,(H,21,22,25).
What are the key properties of 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17143902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).