[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C17H18N4OS2 — CID 96577145

IUPAC[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCn1ccc([C@@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)n1
InChIInChI=1S/C17H18N4OS2/c1-20-9-7-12(19-20)14-5-2-3-8-21(14)17(22)13-11-24-16(18-13)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3/t14-/m0/s1
InChIKeyHDEPDNZGXSNCDM-AWEZNQCLSA-N
MW358.49 g/mol
LogP3.97
Rot. Bonds3

About [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 96577145) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID96577145
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESCn1ccc([C@@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)n1
InChIInChI=1S/C17H18N4OS2/c1-20-9-7-12(19-20)14-5-2-3-8-21(14)17(22)13-11-24-16(18-13)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3/t14-/m0/s1
InChIKeyHDEPDNZGXSNCDM-AWEZNQCLSA-N
XLogP3.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluorophenyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062159
N-(2-fluorophenyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062173
N-(3-fluoro-4-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062373
N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062374
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426403
1-(1,3-thiazol-4-ylcarbonyl)-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}piperidine
CID 28871692
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 42956259
(3-Pyrazol-1-ylpiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 53551265
(3-Pyrazol-1-ylpiperidin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 53562431
4-{[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]carbonyl}-2-(2-thienyl)-1,3-thiazole
CID 53603252
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 53605136
[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 56779288

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 96577145) is [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is Cn1ccc([C@@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)n1.
What is the InChIKey of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is HDEPDNZGXSNCDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-20-9-7-12(19-20)14-5-2-3-8-21(14)17(22)13-11-24-16(18-13)15-6-4-10-23-15/h4,6-7,9-11,14H,2-3,5,8H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 358.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 96577145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).