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

C23H18BrNS — CID 46947498

IUPAC4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(C(c2ccccc2)c2ccc(Br)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18BrNS/c1-16-25-22(23(26-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)18-12-14-20(24)15-13-18/h2-15,21H,1H3
InChIKeyZYAQAELFCBLSSJ-UHFFFAOYSA-N
MW420.38 g/mol
LogP7.06
Rot. Bonds4

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

4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole (PubChem CID 46947498) has the molecular formula C23H18BrNS and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
PubChem CID46947498
Molecular FormulaC23H18BrNS
Molecular Weight420.38 g/mol
Exact Mass419.03
IUPAC Name4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
SMILESCc1nc(C(c2ccccc2)c2ccc(Br)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18BrNS/c1-16-25-22(23(26-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)18-12-14-20(24)15-13-18/h2-15,21H,1H3
InChIKeyZYAQAELFCBLSSJ-UHFFFAOYSA-N
XLogP7.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499
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
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
CID 46944717
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
5-bromo-2-methyl-4-phenyl-1,3-thiazole
CID 3613557
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
CID 15359783

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole (CID 46947498) is 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole is Cc1nc(C(c2ccccc2)c2ccc(Br)cc2)c(-c2ccccc2)s1.
What is the InChIKey of 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole?
The InChIKey is ZYAQAELFCBLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNS/c1-16-25-22(23(26-16)19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)18-12-14-20(24)15-13-18/h2-15,21H,1H3.
What are the key properties of 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole?
4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole has a molecular weight of 420.38 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 46947498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).