5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole

C10H12FNS — CID 143331081

IUPAC5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
SMILESC/C=C(F)\C=C/Cc1cnc(C)s1
InChIInChI=1S/C10H12FNS/c1-3-9(11)5-4-6-10-7-12-8(2)13-10/h3-5,7H,6H2,1-2H3/b5-4-,9-3+
InChIKeyQNAJFMORZLJYNT-SMPMWSNWSA-N
MW197.28 g/mol
LogP3.42
Rot. Bonds3

About 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole

5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole (PubChem CID 143331081) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
PubChem CID143331081
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole
SMILESC/C=C(F)\C=C/Cc1cnc(C)s1
InChIInChI=1S/C10H12FNS/c1-3-9(11)5-4-6-10-7-12-8(2)13-10/h3-5,7H,6H2,1-2H3/b5-4-,9-3+
InChIKeyQNAJFMORZLJYNT-SMPMWSNWSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole (CID 143331081) is 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole is C/C=C(F)\C=C/Cc1cnc(C)s1.
What is the InChIKey of 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
The InChIKey is QNAJFMORZLJYNT-SMPMWSNWSA-N. The full InChI is InChI=1S/C10H12FNS/c1-3-9(11)5-4-6-10-7-12-8(2)13-10/h3-5,7H,6H2,1-2H3/b5-4-,9-3+.
What are the key properties of 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole?
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole has a molecular weight of 197.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 143331081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).