[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C15H19ClN4OS — CID 46263527

IUPAC[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C15H19ClN4OS/c1-9-12(16)11(3)20(18-9)15-17-10(2)13(22-15)14(21)19-7-5-4-6-8-19/h4-8H2,1-3H3
InChIKeyVWNHSWVBQIYYBY-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.53
Rot. Bonds2

About [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 46263527) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID46263527
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C15H19ClN4OS/c1-9-12(16)11(3)20(18-9)15-17-10(2)13(22-15)14(21)19-7-5-4-6-8-19/h4-8H2,1-3H3
InChIKeyVWNHSWVBQIYYBY-UHFFFAOYSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone 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 [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 46263527) is [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VWNHSWVBQIYYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-9-12(16)11(3)20(18-9)15-17-10(2)13(22-15)14(21)19-7-5-4-6-8-19/h4-8H2,1-3H3.
What are the key properties of [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 338.86 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46263527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).