(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole

C8H9NS — CID 138519855

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scn/c1=C/C
InChIInChI=1S/C8H9NS/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3/b7-4+,8-5+
InChIKeyORTHROZGBSATAL-NSLJXJERSA-N
MW151.23 g/mol
LogP0.91
Rot. Bonds1

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

(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole (PubChem CID 138519855) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
PubChem CID138519855
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scn/c1=C/C
InChIInChI=1S/C8H9NS/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3/b7-4+,8-5+
InChIKeyORTHROZGBSATAL-NSLJXJERSA-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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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole (CID 138519855) is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole is C=C/C=c1/scn/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole?
The InChIKey is ORTHROZGBSATAL-NSLJXJERSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole?
(4E,5E)-4-ethylidene-5-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 (4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 138519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).