2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole

C6H4BrN3S — CID 58503847

IUPAC2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole
SMILESBrc1nc(C2=NCC=N2)cs1
InChIInChI=1S/C6H4BrN3S/c7-6-10-4(3-11-6)5-8-1-2-9-5/h1,3H,2H2
InChIKeyBEDBHGNJUKECOK-UHFFFAOYSA-N
MW230.09 g/mol
LogP1.74
Rot. Bonds1

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

2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole (PubChem CID 58503847) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole
PubChem CID58503847
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole
SMILESBrc1nc(C2=NCC=N2)cs1
InChIInChI=1S/C6H4BrN3S/c7-6-10-4(3-11-6)5-8-1-2-9-5/h1,3H,2H2
InChIKeyBEDBHGNJUKECOK-UHFFFAOYSA-N
XLogP1.74
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-(4H-imidazol-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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole (CID 58503847) is 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole is Brc1nc(C2=NCC=N2)cs1.
What is the InChIKey of 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole?
The InChIKey is BEDBHGNJUKECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-6-10-4(3-11-6)5-8-1-2-9-5/h1,3H,2H2.
What are the key properties of 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole?
2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole has a molecular weight of 230.09 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4H-imidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 58503847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).