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

C9H11NS — CID 178004012

IUPAC(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole
SMILESC=C/C=c1/ncs/c1=C/CC
InChIInChI=1S/C9H11NS/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+
InChIKeyUDKSCWXUFHHYGR-XVYDYJIPSA-N
MW165.26 g/mol
LogP1.30
Rot. Bonds2

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

(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole (PubChem CID 178004012) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole
PubChem CID178004012
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole
SMILESC=C/C=c1/ncs/c1=C/CC
InChIInChI=1S/C9H11NS/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+
InChIKeyUDKSCWXUFHHYGR-XVYDYJIPSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-prop-2-enylidene-5-propylidene-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

(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
CID 137417364
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 89272292
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
4-Hepta-1,3,5-trien-3-yl-1,1-dimethyl-1,3-thiazole
CID 123183735
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole (CID 178004012) is (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole is C=C/C=c1/ncs/c1=C/CC.
What is the InChIKey of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole?
The InChIKey is UDKSCWXUFHHYGR-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+.
What are the key properties of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole?
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-thiazole is sourced from PubChem (CID 178004012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).