5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole

C15H22N4S — CID 1481543

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(Cc2cnc(N3CCC(C)CC3)s2)n1
InChIInChI=1S/C15H22N4S/c1-11-4-6-18(7-5-11)15-16-9-14(20-15)10-19-13(3)8-12(2)17-19/h8-9,11H,4-7,10H2,1-3H3
InChIKeyDTZRGOYCEMJPFO-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.24
Rot. Bonds3

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole

5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 1481543) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID1481543
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(Cc2cnc(N3CCC(C)CC3)s2)n1
InChIInChI=1S/C15H22N4S/c1-11-4-6-18(7-5-11)15-16-9-14(20-15)10-19-13(3)8-12(2)17-19/h8-9,11H,4-7,10H2,1-3H3
InChIKeyDTZRGOYCEMJPFO-UHFFFAOYSA-N
XLogP3.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole 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 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole (CID 1481543) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole is Cc1cc(C)n(Cc2cnc(N3CCC(C)CC3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is DTZRGOYCEMJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11-4-6-18(7-5-11)15-16-9-14(20-15)10-19-13(3)8-12(2)17-19/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 1481543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).