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

C5H4BrNS — CID 101221711

IUPAC(5Z)-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-DJWKRKHSSA-N
MW190.06 g/mol
LogP0.69
Rot. Bonds

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

(5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole (PubChem CID 101221711) has the molecular formula C5H4BrNS and a molecular weight of 190.06 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
PubChem CID101221711
Molecular FormulaC5H4BrNS
Molecular Weight190.06 g/mol
Exact Mass188.92
IUPAC Name(5Z)-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-DJWKRKHSSA-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

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Related Compounds

(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole
CID 171093853
4,5-Dimethylene-thiazole
CID 15528583
(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
CID 126700094
(5E)-5-(bromomethylidene)-4-methylidene-1,3-thiazole
CID 10631517
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 (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole (CID 101221711) is (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole is C=c1ncs/c1=C\Br.
What is the InChIKey of (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
The InChIKey is UBTBUQGSACOHNF-DJWKRKHSSA-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 (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole?
(5Z)-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 (5Z)-5-(bromomethylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 101221711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).