[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

C17H24N4OS — CID 136565151

IUPAC[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1ncc(C(=O)N2CCCC(c3ccnn3C)C2)s1
InChIInChI=1S/C17H24N4OS/c1-12(2)9-16-18-10-15(23-16)17(22)21-8-4-5-13(11-21)14-6-7-19-20(14)3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyRMBYBBGLDBCRDM-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.09
Rot. Bonds4

About [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 136565151) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID136565151
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)Cc1ncc(C(=O)N2CCCC(c3ccnn3C)C2)s1
InChIInChI=1S/C17H24N4OS/c1-12(2)9-16-18-10-15(23-16)17(22)21-8-4-5-13(11-21)14-6-7-19-20(14)3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyRMBYBBGLDBCRDM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-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

(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 125135338
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110907783
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
4-[1-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72859910
[3-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 95578552
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124959320
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95873225
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214031

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 136565151) is [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is CC(C)Cc1ncc(C(=O)N2CCCC(c3ccnn3C)C2)s1.
What is the InChIKey of [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RMBYBBGLDBCRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)9-16-18-10-15(23-16)17(22)21-8-4-5-13(11-21)14-6-7-19-20(14)3/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
[2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-1,3-thiazol-5-yl]-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136565151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).