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

C13H7BrClNS2 — CID 114083072

IUPAC2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
SMILESClc1cc(-c2csc(-c3ccccc3Br)n2)cs1
InChIInChI=1S/C13H7BrClNS2/c14-10-4-2-1-3-9(10)13-16-11(7-18-13)8-5-12(15)17-6-8/h1-7H
InChIKeyPXPIMPOWYNXAFR-UHFFFAOYSA-N
MW356.70 g/mol
LogP5.95
Rot. Bonds2

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

2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole (PubChem CID 114083072) has the molecular formula C13H7BrClNS2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
PubChem CID114083072
Molecular FormulaC13H7BrClNS2
Molecular Weight356.70 g/mol
Exact Mass354.89
IUPAC Name2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole
SMILESClc1cc(-c2csc(-c3ccccc3Br)n2)cs1
InChIInChI=1S/C13H7BrClNS2/c14-10-4-2-1-3-9(10)13-16-11(7-18-13)8-5-12(15)17-6-8/h1-7H
InChIKeyPXPIMPOWYNXAFR-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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Related Compounds

2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
CID 79831158
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
CID 114082882
2-(2-bromo-5-fluorophenyl)-4-phenyl-1,3-thiazole
CID 107924775
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
CID 2442244
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
CID 115089496

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole (CID 114083072) is 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole is Clc1cc(-c2csc(-c3ccccc3Br)n2)cs1.
What is the InChIKey of 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole?
The InChIKey is PXPIMPOWYNXAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNS2/c14-10-4-2-1-3-9(10)13-16-11(7-18-13)8-5-12(15)17-6-8/h1-7H.
What are the key properties of 2-(2-bromophenyl)-4-(5-chlorothiophen-3-yl)-1,3-thiazole?
2-(2-bromophenyl)-4-(5-chlorothiophen-3-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-3-yl)-1,3-thiazole is sourced from PubChem (CID 114083072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).