4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid

C16H14N2O2S — CID 64828980

IUPAC4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid
SMILESCC(Nc1ccc(C(=O)O)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14N2O2S/c1-10(12-8-15-14(17-9-12)6-7-21-15)18-13-4-2-11(3-5-13)16(19)20/h2-10,18H,1H3,(H,19,20)
InChIKeyWDXCCPFVGCEECY-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.17
Rot. Bonds4

About 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid

4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid (PubChem CID 64828980) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid.

Molecular Properties

Compound Name4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid
PubChem CID64828980
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid
SMILESCC(Nc1ccc(C(=O)O)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14N2O2S/c1-10(12-8-15-14(17-9-12)6-7-21-15)18-13-4-2-11(3-5-13)16(19)20/h2-10,18H,1H3,(H,19,20)
InChIKeyWDXCCPFVGCEECY-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-ylamino)-
CID 25218747
3-[2-(4-Methylcyclohexyl)-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 46911331
3-[2-[(4-Methylcyclohexylidene)methyl]-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 49863000
3-(2-Pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 1486480
3-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10202996
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-methyl-4-pyridin-2-ylthiophene-2-carboxamide
CID 164628449
3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 3751878
4-[[(6-Thiophen-2-ylpyridine-3-carbonyl)amino]methyl]benzoic acid
CID 54760398
4-(3-Cyano-5-thiophen-2-ylindol-1-yl)benzoic acid
CID 58437368
3-[(1-methoxypiperidin-4-yl)thio]-1-methyl-1H-indole-5-carboxylic acid
CID 19936656
Thieno(3,2-b)pyridine-6-carboxylic acid
CID 14025922
Thieno(3,2-b)pyridine-3-carboxylic acid
CID 66520716

Frequently Asked Questions

What is the IUPAC name of 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid?
The IUPAC name of 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid (CID 64828980) is 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid.
What is the SMILES notation for 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid?
The canonical SMILES for 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid is CC(Nc1ccc(C(=O)O)cc1)c1cnc2ccsc2c1.
What is the InChIKey of 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid?
The InChIKey is WDXCCPFVGCEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(12-8-15-14(17-9-12)6-7-21-15)18-13-4-2-11(3-5-13)16(19)20/h2-10,18H,1H3,(H,19,20).
What are the key properties of 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid?
4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid has a molecular weight of 298.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid is sourced from PubChem (CID 64828980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).