5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid

C15H15F2NO3S — CID 167895497

IUPAC5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
SMILESCC(O)(CNCc1cc(C(=O)O)cs1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO3S/c1-15(21,12-3-2-10(16)5-13(12)17)8-18-6-11-4-9(7-22-11)14(19)20/h2-5,7,18,21H,6,8H2,1H3,(H,19,20)
InChIKeyIFJUZEGBMGIHKR-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.72
Rot. Bonds6

About 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid

5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid (PubChem CID 167895497) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
PubChem CID167895497
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
SMILESCC(O)(CNCc1cc(C(=O)O)cs1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO3S/c1-15(21,12-3-2-10(16)5-13(12)17)8-18-6-11-4-9(7-22-11)14(19)20/h2-5,7,18,21H,6,8H2,1H3,(H,19,20)
InChIKeyIFJUZEGBMGIHKR-UHFFFAOYSA-N
XLogP2.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]thiophene-3-carboxylic acid
CID 106145745
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943
5-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]thiophene-3-carboxylic acid
CID 114164019
2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 111334415
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111334569
5-[(2,3,5,6-tetrafluoroanilino)methyl]thiophene-3-carboxylic acid
CID 107643616

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid (CID 167895497) is 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid is CC(O)(CNCc1cc(C(=O)O)cs1)c1ccc(F)cc1F.
What is the InChIKey of 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid?
The InChIKey is IFJUZEGBMGIHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-15(21,12-3-2-10(16)5-13(12)17)8-18-6-11-4-9(7-22-11)14(19)20/h2-5,7,18,21H,6,8H2,1H3,(H,19,20).
What are the key properties of 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid?
5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid has a molecular weight of 327.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 167895497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).