N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C16H19N3OS — CID 87405721

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-11-2-4-12(5-3-11)14-10-21-16(18-14)19-15(20)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3,(H,18,19,20)
InChIKeyOGFUYMLBOSJGRH-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.06
Rot. Bonds3

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 87405721) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID87405721
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-11-2-4-12(5-3-11)14-10-21-16(18-14)19-15(20)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3,(H,18,19,20)
InChIKeyOGFUYMLBOSJGRH-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
CID 164687675
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406366
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405651
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 87405721) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OGFUYMLBOSJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-2-4-12(5-3-11)14-10-21-16(18-14)19-15(20)13-6-8-17-9-7-13/h2-5,10,13,17H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 87405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).