5-pent-2-enylidene-4H-1,3-thiazole

C8H11NS — CID 123777847

IUPAC5-pent-2-enylidene-4H-1,3-thiazole
SMILESCCC=CC=C1CN=CS1
InChIInChI=1S/C8H11NS/c1-2-3-4-5-8-6-9-7-10-8/h3-5,7H,2,6H2,1H3
InChIKeyZILJYNVWEVHLPJ-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds2

About 5-pent-2-enylidene-4H-1,3-thiazole

5-pent-2-enylidene-4H-1,3-thiazole (PubChem CID 123777847) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-pent-2-enylidene-4H-1,3-thiazole.

Molecular Properties

Compound Name5-pent-2-enylidene-4H-1,3-thiazole
PubChem CID123777847
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-pent-2-enylidene-4H-1,3-thiazole
SMILESCCC=CC=C1CN=CS1
InChIInChI=1S/C8H11NS/c1-2-3-4-5-8-6-9-7-10-8/h3-5,7H,2,6H2,1H3
InChIKeyZILJYNVWEVHLPJ-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
CID 88929695
(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
CID 130413606
N-[(2E,4Z)-2-methylsulfanylhexa-2,4-dienyl]methanimine
CID 132263538
[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
CID 139443844
[(2E,4E)-hepta-2,4-dien-4-yl] N-methylmethanimidothioate
CID 142887678
3a,7a-Dihydro-1,3-benzothiazole;ethane
CID 144334057
ethane;(5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine
CID 144334318
(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole
CID 145123026
4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-4,5-dihydro-1,3-thiazole
CID 156051500
(5E)-5-pentylidene-4H-1,3-thiazole
CID 163817604
(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine
CID 166963431
4-Buta-1,3-dienyl-4,5-dihydro-1,3-thiazole
CID 173698554

Frequently Asked Questions

What is the IUPAC name of 5-pent-2-enylidene-4H-1,3-thiazole?
The IUPAC name of 5-pent-2-enylidene-4H-1,3-thiazole (CID 123777847) is 5-pent-2-enylidene-4H-1,3-thiazole.
What is the SMILES notation for 5-pent-2-enylidene-4H-1,3-thiazole?
The canonical SMILES for 5-pent-2-enylidene-4H-1,3-thiazole is CCC=CC=C1CN=CS1.
What is the InChIKey of 5-pent-2-enylidene-4H-1,3-thiazole?
The InChIKey is ZILJYNVWEVHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-3-4-5-8-6-9-7-10-8/h3-5,7H,2,6H2,1H3.
What are the key properties of 5-pent-2-enylidene-4H-1,3-thiazole?
5-pent-2-enylidene-4H-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-2-enylidene-4H-1,3-thiazole is sourced from PubChem (CID 123777847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).