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

C15H14FNO2S — CID 82226763

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(/C=C/c2ccc(F)cc2)c(C(=O)O)s1
InChIInChI=1S/C15H14FNO2S/c1-9(2)14-17-12(13(20-14)15(18)19)8-5-10-3-6-11(16)7-4-10/h3-9H,1-2H3,(H,18,19)/b8-5+
InChIKeyWTOZKFBGYMPKKX-VMPITWQZSA-N
MW291.35 g/mol
LogP4.27
Rot. Bonds4

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

4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226763) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226763
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(/C=C/c2ccc(F)cc2)c(C(=O)O)s1
InChIInChI=1S/C15H14FNO2S/c1-9(2)14-17-12(13(20-14)15(18)19)8-5-10-3-6-11(16)7-4-10/h3-9H,1-2H3,(H,18,19)/b8-5+
InChIKeyWTOZKFBGYMPKKX-VMPITWQZSA-N
XLogP4.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226763) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(/C=C/c2ccc(F)cc2)c(C(=O)O)s1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WTOZKFBGYMPKKX-VMPITWQZSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-9(2)14-17-12(13(20-14)15(18)19)8-5-10-3-6-11(16)7-4-10/h3-9H,1-2H3,(H,18,19)/b8-5+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).