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

C16H10BrClFNS — CID 79832738

IUPAC4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cccc(Cl)c2F)nc1-c1ccccc1Br
InChIInChI=1S/C16H10BrClFNS/c1-9-15(10-5-2-3-7-12(10)17)20-16(21-9)11-6-4-8-13(18)14(11)19/h2-8H,1H3
InChIKeyKFQYCPUBOJFGBF-UHFFFAOYSA-N
MW382.69 g/mol
LogP6.34
Rot. Bonds2

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

4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole (PubChem CID 79832738) has the molecular formula C16H10BrClFNS and a molecular weight of 382.69 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
PubChem CID79832738
Molecular FormulaC16H10BrClFNS
Molecular Weight382.69 g/mol
Exact Mass380.94
IUPAC Name4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2cccc(Cl)c2F)nc1-c1ccccc1Br
InChIInChI=1S/C16H10BrClFNS/c1-9-15(10-5-2-3-7-12(10)17)20-16(21-9)11-6-4-8-13(18)14(11)19/h2-8H,1H3
InChIKeyKFQYCPUBOJFGBF-UHFFFAOYSA-N
XLogP6.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 107113804
4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
CID 114289439
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
CID 79839841
2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
CID 79831174
4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
CID 79839948
4-(2-bromophenyl)-5-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 79839091
4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-amine
CID 79838808
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
2-(3-chloro-2-fluorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975701
4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole (CID 79832738) is 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole is Cc1sc(-c2cccc(Cl)c2F)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole?
The InChIKey is KFQYCPUBOJFGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFNS/c1-9-15(10-5-2-3-7-12(10)17)20-16(21-9)11-6-4-8-13(18)14(11)19/h2-8H,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole has a molecular weight of 382.69 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 79832738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).