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

C18H21N3O2S — CID 6464404

IUPAC1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CC1
InChIInChI=1S/C18H21N3O2S/c1-12-16(14-6-4-3-5-7-14)19-18(24-12)20-17(23)15-8-10-21(11-9-15)13(2)22/h3-7,15H,8-11H2,1-2H3,(H,19,20,23)
InChIKeyIFYFKSNMMBXSSO-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.32
Rot. Bonds3

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

1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 6464404) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID6464404
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CC1
InChIInChI=1S/C18H21N3O2S/c1-12-16(14-6-4-3-5-7-14)19-18(24-12)20-17(23)15-8-10-21(11-9-15)13(2)22/h3-7,15H,8-11H2,1-2H3,(H,19,20,23)
InChIKeyIFYFKSNMMBXSSO-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17143902
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26291728
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748319
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
cis-(1R,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937188
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
1-(furan-2-carbonyl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46662231
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 108804450

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 6464404) is 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CC1.
What is the InChIKey of 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is IFYFKSNMMBXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-16(14-6-4-3-5-7-14)19-18(24-12)20-17(23)15-8-10-21(11-9-15)13(2)22/h3-7,15H,8-11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6464404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).