2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole

C15H8BrCl2NS — CID 21409105

IUPAC2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Br)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8BrCl2NS/c16-15-19-13(9-1-5-11(17)6-2-9)14(20-15)10-3-7-12(18)8-4-10/h1-8H
InChIKeyNAAOAIKHUHFKAX-UHFFFAOYSA-N
MW385.11 g/mol
LogP6.55
Rot. Bonds2

About 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole

2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole (PubChem CID 21409105) has the molecular formula C15H8BrCl2NS and a molecular weight of 385.11 g/mol. Its IUPAC name is 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
PubChem CID21409105
Molecular FormulaC15H8BrCl2NS
Molecular Weight385.11 g/mol
Exact Mass382.89
IUPAC Name2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(Br)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8BrCl2NS/c16-15-19-13(9-1-5-11(17)6-2-9)14(20-15)10-3-7-12(18)8-4-10/h1-8H
InChIKeyNAAOAIKHUHFKAX-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.11
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878267
8-chloro-6-(2-chlorophenyl)-2-methyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878271
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine
CID 882319
2-(4-Chlorophenyl)-5-isopropenyl-4-methyl-thiazole
CID 23723059
2-(4-Chlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazole
CID 2741156
4-(4-Chlorophenyl)-2-phenyl-1,3-thiazole
CID 677859
Thiazole, 2-chloro-5-methyl-4-phenyl-
CID 208191
2-Chloro-4-(4-chlorophenyl)thiazole
CID 21408758
Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-
CID 13015387
Thiazole, 5-(2-chloroethyl)-4-(p-chlorophenyl)-, hydrochloride
CID 208201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole (CID 21409105) is 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole is Clc1ccc(-c2nc(Br)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole?
The InChIKey is NAAOAIKHUHFKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NS/c16-15-19-13(9-1-5-11(17)6-2-9)14(20-15)10-3-7-12(18)8-4-10/h1-8H.
What are the key properties of 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole?
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole has a molecular weight of 385.11 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 21409105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).