2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole

C10H10F3NS — CID 170768907

IUPAC2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole
SMILESC/C(=C/C=C(\C)F)c1csc(C(F)F)n1
InChIInChI=1S/C10H10F3NS/c1-6(3-4-7(2)11)8-5-15-10(14-8)9(12)13/h3-5,9H,1-2H3/b6-3-,7-4+
InChIKeyNGBXYIHULXUMGW-UCZKPGLMSA-N
MW233.26 g/mol
LogP4.36
Rot. Bonds3

About 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole

2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole (PubChem CID 170768907) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole
PubChem CID170768907
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole
SMILESC/C(=C/C=C(\C)F)c1csc(C(F)F)n1
InChIInChI=1S/C10H10F3NS/c1-6(3-4-7(2)11)8-5-15-10(14-8)9(12)13/h3-5,9H,1-2H3/b6-3-,7-4+
InChIKeyNGBXYIHULXUMGW-UCZKPGLMSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-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-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole?
The IUPAC name of 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole (CID 170768907) is 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole is C/C(=C/C=C(\C)F)c1csc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole?
The InChIKey is NGBXYIHULXUMGW-UCZKPGLMSA-N. The full InChI is InChI=1S/C10H10F3NS/c1-6(3-4-7(2)11)8-5-15-10(14-8)9(12)13/h3-5,9H,1-2H3/b6-3-,7-4+.
What are the key properties of 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole?
2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole has a molecular weight of 233.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole is sourced from PubChem (CID 170768907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).