4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole

C17H14BrNOS — CID 78907377

IUPAC4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)cc1
InChIInChI=1S/C17H14BrNOS/c1-11-16(12-3-7-14(18)8-4-12)19-17(21-11)13-5-9-15(20-2)10-6-13/h3-10H,1-2H3
InChIKeySRTDCNZXBYAPDU-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.56
Rot. Bonds3

About 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole

4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 78907377) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID78907377
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)cc1
InChIInChI=1S/C17H14BrNOS/c1-11-16(12-3-7-14(18)8-4-12)19-17(21-11)13-5-9-15(20-2)10-6-13/h3-10H,1-2H3
InChIKeySRTDCNZXBYAPDU-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
CID 79831174
4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole
CID 115531608
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
CID 79839841
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
CID 112798184
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole (CID 78907377) is 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is SRTDCNZXBYAPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-11-16(12-3-7-14(18)8-4-12)19-17(21-11)13-5-9-15(20-2)10-6-13/h3-10H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 360.28 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 78907377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).