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

C17H10Cl2FNS — CID 6085608

IUPAC2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(/C=C/c3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C17H10Cl2FNS/c18-14-3-1-2-12(17(14)19)6-9-16-21-15(10-22-16)11-4-7-13(20)8-5-11/h1-10H/b9-6+
InChIKeyRGFHMYAVIZWUAE-RMKNXTFCSA-N
MW350.25 g/mol
LogP6.43
Rot. Bonds3

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

2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 6085608) has the molecular formula C17H10Cl2FNS and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID6085608
Molecular FormulaC17H10Cl2FNS
Molecular Weight350.25 g/mol
Exact Mass348.99
IUPAC Name2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(/C=C/c3cccc(Cl)c3Cl)n2)cc1
InChIInChI=1S/C17H10Cl2FNS/c18-14-3-1-2-12(17(14)19)6-9-16-21-15(10-22-16)11-4-7-13(20)8-5-11/h1-10H/b9-6+
InChIKeyRGFHMYAVIZWUAE-RMKNXTFCSA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 6085608) is 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2csc(/C=C/c3cccc(Cl)c3Cl)n2)cc1.
What is the InChIKey of 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is RGFHMYAVIZWUAE-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H10Cl2FNS/c18-14-3-1-2-12(17(14)19)6-9-16-21-15(10-22-16)11-4-7-13(20)8-5-11/h1-10H/b9-6+.
What are the key properties of 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 350.25 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 6085608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).