4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C21H25N5OS — CID 166277282

IUPAC4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCN(C)C2)sc1C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H25N5OS/c1-15-19(28-21(24-15)17-5-3-11-25(2)14-17)20(27)22-13-16-6-8-18(9-7-16)26-12-4-10-23-26/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,22,27)
InChIKeyFZIFGSVEOIZWRW-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.38
Rot. Bonds5

About 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166277282) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID166277282
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCN(C)C2)sc1C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H25N5OS/c1-15-19(28-21(24-15)17-5-3-11-25(2)14-17)20(27)22-13-16-6-8-18(9-7-16)26-12-4-10-23-26/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,22,27)
InChIKeyFZIFGSVEOIZWRW-UHFFFAOYSA-N
XLogP3.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide 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 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 166277282) is 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCN(C)C2)sc1C(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FZIFGSVEOIZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-19(28-21(24-15)17-5-3-11-25(2)14-17)20(27)22-13-16-6-8-18(9-7-16)26-12-4-10-23-26/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,22,27).
What are the key properties of 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpiperidin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166277282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).