(5E)-5-pentylidene-4H-1,3-thiazole

C8H13NS — CID 163817604

IUPAC(5E)-5-pentylidene-4H-1,3-thiazole
SMILESCCCC/C=C1\CN=CS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h5,7H,2-4,6H2,1H3/b8-5+
InChIKeyNSQSSYRDMXKPLO-VMPITWQZSA-N
MW155.27 g/mol
LogP2.84
Rot. Bonds3

About (5E)-5-pentylidene-4H-1,3-thiazole

(5E)-5-pentylidene-4H-1,3-thiazole (PubChem CID 163817604) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (5E)-5-pentylidene-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-pentylidene-4H-1,3-thiazole
PubChem CID163817604
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(5E)-5-pentylidene-4H-1,3-thiazole
SMILESCCCC/C=C1\CN=CS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h5,7H,2-4,6H2,1H3/b8-5+
InChIKeyNSQSSYRDMXKPLO-VMPITWQZSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5E)-5-pentylidene-4H-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

[(E)-hex-2-en-2-yl] N-methylmethanimidothioate
CID 117744977
5-pent-2-enylidene-4H-1,3-thiazole
CID 123777847
(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
CID 130413606
cyclopenten-1-yl N-methylmethanimidothioate
CID 144086321
4-Hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 175236973

Frequently Asked Questions

What is the IUPAC name of (5E)-5-pentylidene-4H-1,3-thiazole?
The IUPAC name of (5E)-5-pentylidene-4H-1,3-thiazole (CID 163817604) is (5E)-5-pentylidene-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-pentylidene-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-pentylidene-4H-1,3-thiazole is CCCC/C=C1\CN=CS1.
What is the InChIKey of (5E)-5-pentylidene-4H-1,3-thiazole?
The InChIKey is NSQSSYRDMXKPLO-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-5-8-6-9-7-10-8/h5,7H,2-4,6H2,1H3/b8-5+.
What are the key properties of (5E)-5-pentylidene-4H-1,3-thiazole?
(5E)-5-pentylidene-4H-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-pentylidene-4H-1,3-thiazole is sourced from PubChem (CID 163817604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).