4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole

C11H14FNS — CID 89341027

IUPAC4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole
SMILESC/C=C\C(=C/C(C)F)c1csc(C)n1
InChIInChI=1S/C11H14FNS/c1-4-5-10(6-8(2)12)11-7-14-9(3)13-11/h4-8H,1-3H3/b5-4-,10-6+
InChIKeyWQGMLOFEJACCOI-VWJYOPCBSA-N
MW211.30 g/mol
LogP3.77
Rot. Bonds3

About 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole

4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole (PubChem CID 89341027) has the molecular formula C11H14FNS and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole
PubChem CID89341027
Molecular FormulaC11H14FNS
Molecular Weight211.30 g/mol
Exact Mass211.08
IUPAC Name4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole
SMILESC/C=C\C(=C/C(C)F)c1csc(C)n1
InChIInChI=1S/C11H14FNS/c1-4-5-10(6-8(2)12)11-7-14-9(3)13-11/h4-8H,1-3H3/b5-4-,10-6+
InChIKeyWQGMLOFEJACCOI-VWJYOPCBSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.77
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 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole (CID 89341027) is 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole is C/C=C\C(=C/C(C)F)c1csc(C)n1.
What is the InChIKey of 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole?
The InChIKey is WQGMLOFEJACCOI-VWJYOPCBSA-N. The full InChI is InChI=1S/C11H14FNS/c1-4-5-10(6-8(2)12)11-7-14-9(3)13-11/h4-8H,1-3H3/b5-4-,10-6+.
What are the key properties of 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole?
4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole has a molecular weight of 211.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 89341027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).