(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole

C5H4BrNS — CID 10631517

IUPAC(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
SMILESC=c1ncs/c1=C/Br
InChIInChI=1S/C5H4BrNS/c1-4-5(2-6)8-3-7-4/h2-3H,1H2/b5-2+
InChIKeyUBTBUQGSACOHNF-GORDUTHDSA-N
MW190.06 g/mol
LogP0.69
Rot. Bonds

About (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole

(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole (PubChem CID 10631517) has the molecular formula C5H4BrNS and a molecular weight of 190.06 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
PubChem CID10631517
Molecular FormulaC5H4BrNS
Molecular Weight190.06 g/mol
Exact Mass188.92
IUPAC Name(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
SMILESC=c1ncs/c1=C/Br
InChIInChI=1S/C5H4BrNS/c1-4-5(2-6)8-3-7-4/h2-3H,1H2/b5-2+
InChIKeyUBTBUQGSACOHNF-GORDUTHDSA-N
XLogP0.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5E)-5-(bromomethylidene)-4-methylidene-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

(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole
CID 171093853
(5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
CID 101221711
4,5-Dimethylene-thiazole
CID 15528583
(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
CID 126700094
5-(Bromomethylidene)-4-methylidene-4,5-dihydro-1,3-thiazole
CID 71348997
4-(Bromomethylidene)-1,3-thiazole
CID 129746169
(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole
CID 177440725

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole (CID 10631517) is (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole is C=c1ncs/c1=C/Br.
What is the InChIKey of (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The InChIKey is UBTBUQGSACOHNF-GORDUTHDSA-N. The full InChI is InChI=1S/C5H4BrNS/c1-4-5(2-6)8-3-7-4/h2-3H,1H2/b5-2+.
What are the key properties of (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole has a molecular weight of 190.06 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 10631517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).