2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole

C9H5BrClNS2 — CID 57192172

IUPAC2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole
SMILESClc1cnc(Sc2ccccc2Br)s1
InChIInChI=1S/C9H5BrClNS2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H
InChIKeyLDCPMQGNJMWSHF-UHFFFAOYSA-N
MW306.64 g/mol
LogP4.71
Rot. Bonds2

About 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole

2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole (PubChem CID 57192172) has the molecular formula C9H5BrClNS2 and a molecular weight of 306.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole
PubChem CID57192172
Molecular FormulaC9H5BrClNS2
Molecular Weight306.64 g/mol
Exact Mass304.87
IUPAC Name2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole
SMILESClc1cnc(Sc2ccccc2Br)s1
InChIInChI=1S/C9H5BrClNS2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H
InChIKeyLDCPMQGNJMWSHF-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole (CID 57192172) is 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole is Clc1cnc(Sc2ccccc2Br)s1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole?
The InChIKey is LDCPMQGNJMWSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNS2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H.
What are the key properties of 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole?
2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole has a molecular weight of 306.64 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-5-chloro-1,3-thiazole is sourced from PubChem (CID 57192172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).