[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone

C21H22N4OS — CID 168971924

IUPAC[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2nccs2)C3)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N4OS/c1-14-5-3-4-6-17(14)25-18(9-15(2)23-25)16-10-21(11-16)12-24(13-21)20(26)19-22-7-8-27-19/h3-9,16H,10-13H2,1-2H3
InChIKeyMHAZXQYWKGJONX-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.97
Rot. Bonds3

About [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone

[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 168971924) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID168971924
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(C2CC3(C2)CN(C(=O)c2nccs2)C3)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N4OS/c1-14-5-3-4-6-17(14)25-18(9-15(2)23-25)16-10-21(11-16)12-24(13-21)20(26)19-22-7-8-27-19/h3-9,16H,10-13H2,1-2H3
InChIKeyMHAZXQYWKGJONX-UHFFFAOYSA-N
XLogP3.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone (CID 168971924) is [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone is Cc1cc(C2CC3(C2)CN(C(=O)c2nccs2)C3)n(-c2ccccc2C)n1.
What is the InChIKey of [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is MHAZXQYWKGJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14-5-3-4-6-17(14)25-18(9-15(2)23-25)16-10-21(11-16)12-24(13-21)20(26)19-22-7-8-27-19/h3-9,16H,10-13H2,1-2H3.
What are the key properties of [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone?
[6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 378.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-azaspiro[3.3]heptan-2-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 168971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).