2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H24N4OS — CID 95777671

IUPAC2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1csc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)15-11-23-17(19-15)14-5-4-6-21(10-14)16(22)7-13-8-18-20(3)9-13/h8-9,11-12,14H,4-7,10H2,1-3H3/t14-/m1/s1
InChIKeyJSUDCNVSBIWVRV-CQSZACIVSA-N
MW332.47 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95777671) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95777671
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1csc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)15-11-23-17(19-15)14-5-4-6-21(10-14)16(22)7-13-8-18-20(3)9-13/h8-9,11-12,14H,4-7,10H2,1-3H3/t14-/m1/s1
InChIKeyJSUDCNVSBIWVRV-CQSZACIVSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777723
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95777676
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 95777712
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95777652
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
morpholin-3-yl-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119893105
(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893150

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95777671) is 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CC(C)c1csc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JSUDCNVSBIWVRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)15-11-23-17(19-15)14-5-4-6-21(10-14)16(22)7-13-8-18-20(3)9-13/h8-9,11-12,14H,4-7,10H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 332.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95777671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).