3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid

C14H14FNO2S — CID 83034432

IUPAC3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCC(C)c1c(-c2ccccc2F)sc(C(=O)O)c1N
InChIInChI=1S/C14H14FNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyKQIAEGCTIPUYAB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid

3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid (PubChem CID 83034432) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
PubChem CID83034432
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCC(C)c1c(-c2ccccc2F)sc(C(=O)O)c1N
InChIInChI=1S/C14H14FNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyKQIAEGCTIPUYAB-UHFFFAOYSA-N
XLogP3.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid (CID 83034432) is 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid is CC(C)c1c(-c2ccccc2F)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The InChIKey is KQIAEGCTIPUYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).