2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole

C6H3BrN2S2 — CID 22767721

IUPAC2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1nc(-c2nccs2)cs1
InChIInChI=1S/C6H3BrN2S2/c7-6-9-4(3-11-6)5-8-1-2-10-5/h1-3H
InChIKeyXXJMCSJIYXYSIK-UHFFFAOYSA-N
MW247.14 g/mol
LogP3.03
Rot. Bonds1

About 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole

2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 22767721) has the molecular formula C6H3BrN2S2 and a molecular weight of 247.14 g/mol. Its IUPAC name is 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID22767721
Molecular FormulaC6H3BrN2S2
Molecular Weight247.14 g/mol
Exact Mass245.89
IUPAC Name2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
SMILESBrc1nc(-c2nccs2)cs1
InChIInChI=1S/C6H3BrN2S2/c7-6-9-4(3-11-6)5-8-1-2-10-5/h1-3H
InChIKeyXXJMCSJIYXYSIK-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-(1,3-thiazol-2-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

Related Compounds

2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 175739771
1-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 64988732
4-amino-2-bromo-6-(1,3-thiazol-2-yl)pyridine-3-carbaldehyde
CID 175609051
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 177255972
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 64988735
N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214646
5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
CID 165444968

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole (CID 22767721) is 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole is Brc1nc(-c2nccs2)cs1.
What is the InChIKey of 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is XXJMCSJIYXYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S2/c7-6-9-4(3-11-6)5-8-1-2-10-5/h1-3H.
What are the key properties of 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole?
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 247.14 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 22767721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).