4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole

C13H7Br2NS2 — CID 79831158

IUPAC4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nc(-c3ccccc3Br)cs2)c1
InChIInChI=1S/C13H7Br2NS2/c14-8-5-12(17-6-8)13-16-11(7-18-13)9-3-1-2-4-10(9)15/h1-7H
InChIKeyYEJMCGXCPSGOSO-UHFFFAOYSA-N
MW401.15 g/mol
LogP6.06
Rot. Bonds2

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

4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole (PubChem CID 79831158) has the molecular formula C13H7Br2NS2 and a molecular weight of 401.15 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
PubChem CID79831158
Molecular FormulaC13H7Br2NS2
Molecular Weight401.15 g/mol
Exact Mass398.84
IUPAC Name4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1csc(-c2nc(-c3ccccc3Br)cs2)c1
InChIInChI=1S/C13H7Br2NS2/c14-8-5-12(17-6-8)13-16-11(7-18-13)9-3-1-2-4-10(9)15/h1-7H
InChIKeyYEJMCGXCPSGOSO-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.15
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole (CID 79831158) is 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole is Brc1csc(-c2nc(-c3ccccc3Br)cs2)c1.
What is the InChIKey of 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole?
The InChIKey is YEJMCGXCPSGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NS2/c14-8-5-12(17-6-8)13-16-11(7-18-13)9-3-1-2-4-10(9)15/h1-7H.
What are the key properties of 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole?
4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole has a molecular weight of 401.15 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 79831158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).