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

C16H11BrClNS — CID 79839841

IUPAC4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Cl)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClNS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKeyICCLCUFHLJLYPW-UHFFFAOYSA-N
MW364.70 g/mol
LogP6.20
Rot. Bonds2

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

4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole (PubChem CID 79839841) has the molecular formula C16H11BrClNS and a molecular weight of 364.70 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
PubChem CID79839841
Molecular FormulaC16H11BrClNS
Molecular Weight364.70 g/mol
Exact Mass362.95
IUPAC Name4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2Cl)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClNS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKeyICCLCUFHLJLYPW-UHFFFAOYSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
CID 79831174
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911730
5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911908
4-[4-(4-bromophenyl)-2-(2-chlorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 22912344
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19227428
4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
CID 79832738
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
CID 79831720
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole (CID 79839841) is 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccccc2Cl)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole?
The InChIKey is ICCLCUFHLJLYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNS/c1-10-15(11-6-8-12(17)9-7-11)19-16(20-10)13-4-2-3-5-14(13)18/h2-9H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole?
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole has a molecular weight of 364.70 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79839841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).