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

C9H5BrClNS2 — CID 134908152

IUPAC5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2ncc(Br)s2)cc1
InChIInChI=1S/C9H5BrClNS2/c10-8-5-12-9(14-8)13-7-3-1-6(11)2-4-7/h1-5H
InChIKeyFUKJEVPTOCRFFO-UHFFFAOYSA-N
MW306.64 g/mol
LogP4.71
Rot. Bonds2

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

5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole (PubChem CID 134908152) has the molecular formula C9H5BrClNS2 and a molecular weight of 306.64 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole
PubChem CID134908152
Molecular FormulaC9H5BrClNS2
Molecular Weight306.64 g/mol
Exact Mass304.87
IUPAC Name5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2ncc(Br)s2)cc1
InChIInChI=1S/C9H5BrClNS2/c10-8-5-12-9(14-8)13-7-3-1-6(11)2-4-7/h1-5H
InChIKeyFUKJEVPTOCRFFO-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'}

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Related Compounds

2-[(4-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 145962383
2-[(2-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 150623387
2-[(3-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 150660049
2-[(2,4-Dichlorophenyl)disulfanyl]-1,3-thiazole
CID 151525807
2-[(3,4-Dichlorophenyl)disulfanyl]-1,3-thiazole
CID 151605585
2-((4-Chlorophenyl)thio)thiazole
CID 820439
5-Phenylsulfanyl-1,3-thiazole
CID 12264464
2-(3,5-Dichlorophenyl)sulfanyl-1,3-thiazole
CID 17816191
2-(2-Bromophenyl)sulfanyl-5-chloro-1,3-thiazole
CID 57192172
Chlorobenzene;1,3-thiazole
CID 70415470
5-(4-Chlorophenyl)sulfonyl-1,3-thiazole
CID 141085747
2-Bromo-5-(2,3-dichlorophenyl)sulfanyl-1,3-thiazole
CID 141495349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole (CID 134908152) is 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole is Clc1ccc(Sc2ncc(Br)s2)cc1.
What is the InChIKey of 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The InChIKey is FUKJEVPTOCRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNS2/c10-8-5-12-9(14-8)13-7-3-1-6(11)2-4-7/h1-5H.
What are the key properties of 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole?
5-bromo-2-(4-chlorophenyl)sulfanyl-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 5-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 134908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).