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

C11H6BrNS3 — CID 47302086

IUPAC4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESBrc1ccsc1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H6BrNS3/c12-8-2-4-15-10(8)9-6-16-11(13-9)7-1-3-14-5-7/h1-6H
InChIKeyMTPSNJBARQRYQZ-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.36
Rot. Bonds2

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

4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 47302086) has the molecular formula C11H6BrNS3 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID47302086
Molecular FormulaC11H6BrNS3
Molecular Weight328.28 g/mol
Exact Mass326.88
IUPAC Name4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
SMILESBrc1ccsc1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H6BrNS3/c12-8-2-4-15-10(8)9-6-16-11(13-9)7-1-3-14-5-7/h1-6H
InChIKeyMTPSNJBARQRYQZ-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-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 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole (CID 47302086) is 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole is Brc1ccsc1-c1csc(-c2ccsc2)n1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is MTPSNJBARQRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNS3/c12-8-2-4-15-10(8)9-6-16-11(13-9)7-1-3-14-5-7/h1-6H.
What are the key properties of 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole?
4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 328.28 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 47302086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).