5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole

C29H23ClN6S — CID 155520889

IUPAC5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3nn(-c4ccccc4)cc3-c3cn(Cc4ccc(Cl)cc4)nn3)s2)cc1
InChIInChI=1S/C29H23ClN6S/c1-19-8-12-22(13-9-19)29-31-20(2)28(37-29)27-25(17-36(33-27)24-6-4-3-5-7-24)26-18-35(34-32-26)16-21-10-14-23(30)15-11-21/h3-15,17-18H,16H2,1-2H3
InChIKeyVCFPYSSQYALQFP-UHFFFAOYSA-N
MW523.07 g/mol
LogP7.24
Rot. Bonds6

About 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole

5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 155520889) has the molecular formula C29H23ClN6S and a molecular weight of 523.07 g/mol. Its IUPAC name is 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID155520889
Molecular FormulaC29H23ClN6S
Molecular Weight523.07 g/mol
Exact Mass522.14
IUPAC Name5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(-c3nn(-c4ccccc4)cc3-c3cn(Cc4ccc(Cl)cc4)nn3)s2)cc1
InChIInChI=1S/C29H23ClN6S/c1-19-8-12-22(13-9-19)29-31-20(2)28(37-29)27-25(17-36(33-27)24-6-4-3-5-7-24)26-18-35(34-32-26)16-21-10-14-23(30)15-11-21/h3-15,17-18H,16H2,1-2H3
InChIKeyVCFPYSSQYALQFP-UHFFFAOYSA-N
XLogP7.24
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.07
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-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-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole (CID 155520889) is 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(C)c(-c3nn(-c4ccccc4)cc3-c3cn(Cc4ccc(Cl)cc4)nn3)s2)cc1.
What is the InChIKey of 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is VCFPYSSQYALQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN6S/c1-19-8-12-22(13-9-19)29-31-20(2)28(37-29)27-25(17-36(33-27)24-6-4-3-5-7-24)26-18-35(34-32-26)16-21-10-14-23(30)15-11-21/h3-15,17-18H,16H2,1-2H3.
What are the key properties of 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole?
5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 523.07 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 155520889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).