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

C30H26N6S — CID 155523034

IUPAC4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole
SMILESCc1ccc(Cn2cc(-c3cn(-c4ccccc4)nc3-c3sc(-c4ccc(C)cc4)nc3C)nn2)cc1
InChIInChI=1S/C30H26N6S/c1-20-9-13-23(14-10-20)17-35-19-27(32-34-35)26-18-36(25-7-5-4-6-8-25)33-28(26)29-22(3)31-30(37-29)24-15-11-21(2)12-16-24/h4-16,18-19H,17H2,1-3H3
InChIKeySRUKXWWDWQSKBX-UHFFFAOYSA-N
MW502.65 g/mol
LogP6.89
Rot. Bonds6

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

4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole (PubChem CID 155523034) has the molecular formula C30H26N6S and a molecular weight of 502.65 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole
PubChem CID155523034
Molecular FormulaC30H26N6S
Molecular Weight502.65 g/mol
Exact Mass502.19
IUPAC Name4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole
SMILESCc1ccc(Cn2cc(-c3cn(-c4ccccc4)nc3-c3sc(-c4ccc(C)cc4)nc3C)nn2)cc1
InChIInChI=1S/C30H26N6S/c1-20-9-13-23(14-10-20)17-35-19-27(32-34-35)26-18-36(25-7-5-4-6-8-25)33-28(26)29-22(3)31-30(37-29)24-15-11-21(2)12-16-24/h4-16,18-19H,17H2,1-3H3
InChIKeySRUKXWWDWQSKBX-UHFFFAOYSA-N
XLogP6.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-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

Related Compounds

CID 1476741
CID 1476741
CID 1476746
CID 1476746
CID 1476747
CID 1476747
CID 2768051
CID 2768051
CID 30849881
CID 30849881
CID 132941094
CID 132941094
CID 155511654
CID 155511654
CID 155520889
CID 155520889
CID 155532006
CID 155532006
CID 155556334
CID 155556334
CID 54670829
CID 54670829
CID 54670830
CID 54670830

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole (CID 155523034) is 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole is Cc1ccc(Cn2cc(-c3cn(-c4ccccc4)nc3-c3sc(-c4ccc(C)cc4)nc3C)nn2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole?
The InChIKey is SRUKXWWDWQSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6S/c1-20-9-13-23(14-10-20)17-35-19-27(32-34-35)26-18-36(25-7-5-4-6-8-25)33-28(26)29-22(3)31-30(37-29)24-15-11-21(2)12-16-24/h4-16,18-19H,17H2,1-3H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole?
4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole has a molecular weight of 502.65 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 155523034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).