2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid

C15H9FN2O2S2 — CID 51134272

IUPAC2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H9FN2O2S2/c16-10-3-1-9(2-4-10)14-18-11(8-21-14)5-6-13-17-7-12(22-13)15(19)20/h1-8H,(H,19,20)/b6-5+
InChIKeyGPWZOLTYRDWDKZ-AATRIKPKSA-N
MW332.38 g/mol
LogP4.27
Rot. Bonds4

About 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid

2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 51134272) has the molecular formula C15H9FN2O2S2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID51134272
Molecular FormulaC15H9FN2O2S2
Molecular Weight332.38 g/mol
Exact Mass332.01
IUPAC Name2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H9FN2O2S2/c16-10-3-1-9(2-4-10)14-18-11(8-21-14)5-6-13-17-7-12(22-13)15(19)20/h1-8H,(H,19,20)/b6-5+
InChIKeyGPWZOLTYRDWDKZ-AATRIKPKSA-N
XLogP4.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid (CID 51134272) is 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(/C=C/c2csc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is GPWZOLTYRDWDKZ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H9FN2O2S2/c16-10-3-1-9(2-4-10)14-18-11(8-21-14)5-6-13-17-7-12(22-13)15(19)20/h1-8H,(H,19,20)/b6-5+.
What are the key properties of 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 51134272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).