5-ethylidene-4-prop-2-enylidene-1,3-thiazole

C8H9NS — CID 123457592

IUPAC5-ethylidene-4-prop-2-enylidene-1,3-thiazole
SMILESC=CC=c1ncsc1=CC
InChIInChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-6H,1H2,2H3
InChIKeyHLCNJWZQKGVLQQ-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.91
Rot. Bonds1

About 5-ethylidene-4-prop-2-enylidene-1,3-thiazole

5-ethylidene-4-prop-2-enylidene-1,3-thiazole (PubChem CID 123457592) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-ethylidene-4-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Name5-ethylidene-4-prop-2-enylidene-1,3-thiazole
PubChem CID123457592
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5-ethylidene-4-prop-2-enylidene-1,3-thiazole
SMILESC=CC=c1ncsc1=CC
InChIInChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-6H,1H2,2H3
InChIKeyHLCNJWZQKGVLQQ-UHFFFAOYSA-N
XLogP0.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7H-1,3-benzothiazol-7-ide;vanadium
CID 58775540
(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
CID 88929695
(5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 89272485
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277021
4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
CID 90764624
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
5-Ethylidene-4-propan-2-ylidene-1,3-thiazole
CID 91081809
N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91101949
N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91295431
(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
CID 118667083
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
4-(3-Methylbut-2-enylidene)-5-methylidene-1,3-thiazole
CID 124009275

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-prop-2-enylidene-1,3-thiazole?
The IUPAC name of 5-ethylidene-4-prop-2-enylidene-1,3-thiazole (CID 123457592) is 5-ethylidene-4-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for 5-ethylidene-4-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for 5-ethylidene-4-prop-2-enylidene-1,3-thiazole is C=CC=c1ncsc1=CC.
What is the InChIKey of 5-ethylidene-4-prop-2-enylidene-1,3-thiazole?
The InChIKey is HLCNJWZQKGVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-6H,1H2,2H3.
What are the key properties of 5-ethylidene-4-prop-2-enylidene-1,3-thiazole?
5-ethylidene-4-prop-2-enylidene-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 123457592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).