4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole

C17H11F2NS — CID 162721186

IUPAC4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
SMILESFc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H11F2NS/c18-14-6-1-12(2-7-14)3-10-17-20-16(11-21-17)13-4-8-15(19)9-5-13/h1-11H/b10-3+
InChIKeyIQNJTOIHEQAPOL-XCVCLJGOSA-N
MW299.35 g/mol
LogP5.26
Rot. Bonds3

About 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole

4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole (PubChem CID 162721186) has the molecular formula C17H11F2NS and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
PubChem CID162721186
Molecular FormulaC17H11F2NS
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
SMILESFc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H11F2NS/c18-14-6-1-12(2-7-14)3-10-17-20-16(11-21-17)13-4-8-15(19)9-5-13/h1-11H/b10-3+
InChIKeyIQNJTOIHEQAPOL-XCVCLJGOSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.35
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 162721182
3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
CID 15477392
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 3681008
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
CID 9118237
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 6085608
2-[(E)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethenyl]phenol;4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol;4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 158279125
4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
CID 6043812
2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
CID 175156571
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole (CID 162721186) is 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole is Fc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole?
The InChIKey is IQNJTOIHEQAPOL-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H11F2NS/c18-14-6-1-12(2-7-14)3-10-17-20-16(11-21-17)13-4-8-15(19)9-5-13/h1-11H/b10-3+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole has a molecular weight of 299.35 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 162721186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).