2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole

C24H21NS — CID 46947499

IUPAC2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
SMILESCc1ccc(C(c2ccccc2)c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NS/c1-17-13-15-20(16-14-17)22(19-9-5-3-6-10-19)23-24(26-18(2)25-23)21-11-7-4-8-12-21/h3-16,22H,1-2H3
InChIKeyOHDVQBVIWYHKOI-UHFFFAOYSA-N
MW355.51 g/mol
LogP6.61
Rot. Bonds4

About 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole

2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole (PubChem CID 46947499) has the molecular formula C24H21NS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
PubChem CID46947499
Molecular FormulaC24H21NS
Molecular Weight355.51 g/mol
Exact Mass355.14
IUPAC Name2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
SMILESCc1ccc(C(c2ccccc2)c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C24H21NS/c1-17-13-15-20(16-14-17)22(19-9-5-3-6-10-19)23-24(26-18(2)25-23)21-11-7-4-8-12-21/h3-16,22H,1-2H3
InChIKeyOHDVQBVIWYHKOI-UHFFFAOYSA-N
XLogP6.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
CID 46947498
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
CID 46944717
2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46944926
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855019
S-(4-methylphenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carbothioate
CID 43854669
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole (CID 46947499) is 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole is Cc1ccc(C(c2ccccc2)c2nc(C)sc2-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The InChIKey is OHDVQBVIWYHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NS/c1-17-13-15-20(16-14-17)22(19-9-5-3-6-10-19)23-24(26-18(2)25-23)21-11-7-4-8-12-21/h3-16,22H,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole has a molecular weight of 355.51 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 46947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).