1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

C17H24N4OS — CID 71926808

IUPAC1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cc(C2CCCN(C(=O)Cc3csc(C(C)C)n3)C2)n[nH]1
InChIInChI=1S/C17H24N4OS/c1-11(2)17-18-14(10-23-17)8-16(22)21-6-4-5-13(9-21)15-7-12(3)19-20-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyHYWQHVGMKKNRST-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 71926808) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID71926808
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cc(C2CCCN(C(=O)Cc3csc(C(C)C)n3)C2)n[nH]1
InChIInChI=1S/C17H24N4OS/c1-11(2)17-18-14(10-23-17)8-16(22)21-6-4-5-13(9-21)15-7-12(3)19-20-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyHYWQHVGMKKNRST-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-isopropyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50974003
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
2-methyl-4-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72121344
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 72148051
1-[(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-(1H-pyrazol-5-yl)piperidine
CID 70779777
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50973346
5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217745
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 71926808) is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is Cc1cc(C2CCCN(C(=O)Cc3csc(C(C)C)n3)C2)n[nH]1.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HYWQHVGMKKNRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11(2)17-18-14(10-23-17)8-16(22)21-6-4-5-13(9-21)15-7-12(3)19-20-15/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 332.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 71926808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).