5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole

C9H10FNS — CID 178086149

IUPAC5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole
SMILESC=C/C(=C(\C)F)c1scnc1C
InChIInChI=1S/C9H10FNS/c1-4-8(6(2)10)9-7(3)11-5-12-9/h4-5H,1H2,2-3H3/b8-6-
InChIKeyXOWCGFNGZDJLQG-VURMDHGXSA-N
MW183.25 g/mol
LogP3.34
Rot. Bonds2

About 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole

5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole (PubChem CID 178086149) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole
PubChem CID178086149
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole
SMILESC=C/C(=C(\C)F)c1scnc1C
InChIInChI=1S/C9H10FNS/c1-4-8(6(2)10)9-7(3)11-5-12-9/h4-5H,1H2,2-3H3/b8-6-
InChIKeyXOWCGFNGZDJLQG-VURMDHGXSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole (CID 178086149) is 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole is C=C/C(=C(\C)F)c1scnc1C.
What is the InChIKey of 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is XOWCGFNGZDJLQG-VURMDHGXSA-N. The full InChI is InChI=1S/C9H10FNS/c1-4-8(6(2)10)9-7(3)11-5-12-9/h4-5H,1H2,2-3H3/b8-6-.
What are the key properties of 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole?
5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 183.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 178086149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).