2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole

C9H4BrCl2NS2 — CID 141495349

IUPAC2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1cccc(Sc2cnc(Br)s2)c1Cl
InChIInChI=1S/C9H4BrCl2NS2/c10-9-13-4-7(15-9)14-6-3-1-2-5(11)8(6)12/h1-4H
InChIKeyAHRWPSOBEHMDNH-UHFFFAOYSA-N
MW341.08 g/mol
LogP5.36
Rot. Bonds2

About 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole

2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole (PubChem CID 141495349) has the molecular formula C9H4BrCl2NS2 and a molecular weight of 341.08 g/mol. Its IUPAC name is 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole
PubChem CID141495349
Molecular FormulaC9H4BrCl2NS2
Molecular Weight341.08 g/mol
Exact Mass338.83
IUPAC Name2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1cccc(Sc2cnc(Br)s2)c1Cl
InChIInChI=1S/C9H4BrCl2NS2/c10-9-13-4-7(15-9)14-6-3-1-2-5(11)8(6)12/h1-4H
InChIKeyAHRWPSOBEHMDNH-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.08
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole (CID 141495349) is 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole is Clc1cccc(Sc2cnc(Br)s2)c1Cl.
What is the InChIKey of 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole?
The InChIKey is AHRWPSOBEHMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2NS2/c10-9-13-4-7(15-9)14-6-3-1-2-5(11)8(6)12/h1-4H.
What are the key properties of 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole?
2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole has a molecular weight of 341.08 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 141495349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).