(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole

C5H3Br2NS — CID 177440725

IUPAC(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole
SMILESBr/C=c1\scn\c1=C\Br
InChIInChI=1S/C5H3Br2NS/c6-1-4-5(2-7)9-3-8-4/h1-3H/b4-1+,5-2-
InChIKeyPFKCJZCEEZGCQZ-IKENXXAYSA-N
MW268.96 g/mol
LogP1.41
Rot. Bonds

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

(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole (PubChem CID 177440725) has the molecular formula C5H3Br2NS and a molecular weight of 268.96 g/mol. Its IUPAC name is (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole
PubChem CID177440725
Molecular FormulaC5H3Br2NS
Molecular Weight268.96 g/mol
Exact Mass266.84
IUPAC Name(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole
SMILESBr/C=c1\scn\c1=C\Br
InChIInChI=1S/C5H3Br2NS/c6-1-4-5(2-7)9-3-8-4/h1-3H/b4-1+,5-2-
InChIKeyPFKCJZCEEZGCQZ-IKENXXAYSA-N
XLogP1.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.96
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole?
The IUPAC name of (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole (CID 177440725) is (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole?
The canonical SMILES for (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole is Br/C=c1\scn\c1=C\Br.
What is the InChIKey of (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole?
The InChIKey is PFKCJZCEEZGCQZ-IKENXXAYSA-N. The full InChI is InChI=1S/C5H3Br2NS/c6-1-4-5(2-7)9-3-8-4/h1-3H/b4-1+,5-2-.
What are the key properties of (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole?
(4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole has a molecular weight of 268.96 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4,5-bis(bromomethylidene)-1,3-thiazole is sourced from PubChem (CID 177440725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).