2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

C17H14N2O3S — CID 57068291

IUPAC2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILES[H]/N=C(\c1ccccc1)c1cc2c(=O)c(C(=O)O)cn(CC)c2s1
InChIInChI=1S/C17H14N2O3S/c1-2-19-9-12(17(21)22)15(20)11-8-13(23-16(11)19)14(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,21,22)/b18-14+
InChIKeyJCAZDPSGJRRQOE-NBVRZTHBSA-N
MW326.38 g/mol
LogP3.20
Rot. Bonds4

About 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 57068291) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID57068291
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILES[H]/N=C(\c1ccccc1)c1cc2c(=O)c(C(=O)O)cn(CC)c2s1
InChIInChI=1S/C17H14N2O3S/c1-2-19-9-12(17(21)22)15(20)11-8-13(23-16(11)19)14(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,21,22)/b18-14+
InChIKeyJCAZDPSGJRRQOE-NBVRZTHBSA-N
XLogP3.20
TPSA83.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 3045247
7-ethyl-2-(N'-ethylcarbamimidoyl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 57103908
2-[(4-ethoxyphenyl)iminomethyl]-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 14223944
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride
CID 173336487
3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 15110973
1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 142486641
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66650297
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 57068291) is 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is [H]/N=C(\c1ccccc1)c1cc2c(=O)c(C(=O)O)cn(CC)c2s1.
What is the InChIKey of 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is JCAZDPSGJRRQOE-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-2-19-9-12(17(21)22)15(20)11-8-13(23-16(11)19)14(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,21,22)/b18-14+.
What are the key properties of 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 326.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 57068291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).