2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole

C9H4BrCl2NS — CID 53440971

IUPAC2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2csc(Br)n2)c1Cl
InChIInChI=1S/C9H4BrCl2NS/c10-9-13-7(4-14-9)5-2-1-3-6(11)8(5)12/h1-4H
InChIKeyJXQVGWWLLQWJHM-UHFFFAOYSA-N
MW309.02 g/mol
LogP4.88
Rot. Bonds1

About 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole

2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole (PubChem CID 53440971) has the molecular formula C9H4BrCl2NS and a molecular weight of 309.02 g/mol. Its IUPAC name is 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole
PubChem CID53440971
Molecular FormulaC9H4BrCl2NS
Molecular Weight309.02 g/mol
Exact Mass306.86
IUPAC Name2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2csc(Br)n2)c1Cl
InChIInChI=1S/C9H4BrCl2NS/c10-9-13-7(4-14-9)5-2-1-3-6(11)8(5)12/h1-4H
InChIKeyJXQVGWWLLQWJHM-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.02
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole (CID 53440971) is 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole is Clc1cccc(-c2csc(Br)n2)c1Cl.
What is the InChIKey of 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole?
The InChIKey is JXQVGWWLLQWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NS/c10-9-13-7(4-14-9)5-2-1-3-6(11)8(5)12/h1-4H.
What are the key properties of 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole?
2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole has a molecular weight of 309.02 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 53440971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).