(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one

C17H24N4OS — CID 164634002

IUPAC(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one
SMILESCc1nn(Cc2csc(C(C)C)n2)c(C)c1[C@@H]1CCCC(=O)N1
InChIInChI=1S/C17H24N4OS/c1-10(2)17-18-13(9-23-17)8-21-12(4)16(11(3)20-21)14-6-5-7-15(22)19-14/h9-10,14H,5-8H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyIOEYUZRDCBZVIN-AWEZNQCLSA-N
MW332.47 g/mol
LogP3.47
Rot. Bonds4

About (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one

(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one (PubChem CID 164634002) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one
PubChem CID164634002
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one
SMILESCc1nn(Cc2csc(C(C)C)n2)c(C)c1[C@@H]1CCCC(=O)N1
InChIInChI=1S/C17H24N4OS/c1-10(2)17-18-13(9-23-17)8-21-12(4)16(11(3)20-21)14-6-5-7-15(22)19-14/h9-10,14H,5-8H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyIOEYUZRDCBZVIN-AWEZNQCLSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one?
The IUPAC name of (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one (CID 164634002) is (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one.
What is the SMILES notation for (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one?
The canonical SMILES for (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one is Cc1nn(Cc2csc(C(C)C)n2)c(C)c1[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one?
The InChIKey is IOEYUZRDCBZVIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)17-18-13(9-23-17)8-21-12(4)16(11(3)20-21)14-6-5-7-15(22)19-14/h9-10,14H,5-8H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one?
(6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one has a molecular weight of 332.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[3,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]piperidin-2-one is sourced from PubChem (CID 164634002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).