2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole

C13H7BrClNS2 — CID 79832539

IUPAC2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccccc3Br)n2)s1
InChIInChI=1S/C13H7BrClNS2/c14-9-4-2-1-3-8(9)13-16-10(7-17-13)11-5-6-12(15)18-11/h1-7H
InChIKeyWGLIQFONZKTBHD-UHFFFAOYSA-N
MW356.70 g/mol
LogP5.95
Rot. Bonds2

About 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole

2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole (PubChem CID 79832539) has the molecular formula C13H7BrClNS2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
PubChem CID79832539
Molecular FormulaC13H7BrClNS2
Molecular Weight356.70 g/mol
Exact Mass354.89
IUPAC Name2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccccc3Br)n2)s1
InChIInChI=1S/C13H7BrClNS2/c14-9-4-2-1-3-8(9)13-16-10(7-17-13)11-5-6-12(15)18-11/h1-7H
InChIKeyWGLIQFONZKTBHD-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole (CID 79832539) is 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole is Clc1ccc(-c2csc(-c3ccccc3Br)n2)s1.
What is the InChIKey of 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The InChIKey is WGLIQFONZKTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNS2/c14-9-4-2-1-3-8(9)13-16-10(7-17-13)11-5-6-12(15)18-11/h1-7H.
What are the key properties of 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole has a molecular weight of 356.70 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 79832539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).