2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole

C15H19F2NOS — CID 178133022

IUPAC2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole
SMILESC/C=C\C=C(C(/OC(F)F)=C(/C)CC)\c1ncc(C)s1
InChIInChI=1S/C15H19F2NOS/c1-5-7-8-12(14-18-9-11(4)20-14)13(10(3)6-2)19-15(16)17/h5,7-9,15H,6H2,1-4H3/b7-5-,12-8+,13-10+
InChIKeyIQIHHMRQLGNIHU-YSCXGBBCSA-N
MW299.39 g/mol
LogP5.33
Rot. Bonds6

About 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole

2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole (PubChem CID 178133022) has the molecular formula C15H19F2NOS and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole
PubChem CID178133022
Molecular FormulaC15H19F2NOS
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole
SMILESC/C=C\C=C(C(/OC(F)F)=C(/C)CC)\c1ncc(C)s1
InChIInChI=1S/C15H19F2NOS/c1-5-7-8-12(14-18-9-11(4)20-14)13(10(3)6-2)19-15(16)17/h5,7-9,15H,6H2,1-4H3/b7-5-,12-8+,13-10+
InChIKeyIQIHHMRQLGNIHU-YSCXGBBCSA-N
XLogP5.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-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 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole (CID 178133022) is 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole is C/C=C\C=C(C(/OC(F)F)=C(/C)CC)\c1ncc(C)s1.
What is the InChIKey of 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole?
The InChIKey is IQIHHMRQLGNIHU-YSCXGBBCSA-N. The full InChI is InChI=1S/C15H19F2NOS/c1-5-7-8-12(14-18-9-11(4)20-14)13(10(3)6-2)19-15(16)17/h5,7-9,15H,6H2,1-4H3/b7-5-,12-8+,13-10+.
What are the key properties of 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole?
2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole has a molecular weight of 299.39 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E,6E)-6-(difluoromethoxy)-7-methylnona-2,4,6-trien-5-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 178133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).