3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

C17H15N3O3S2 — CID 71102232

IUPAC3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESNc1c(NC(=O)c2cc3ccccc3s2)sc2c1CCN(C(=O)O)C2
InChIInChI=1S/C17H15N3O3S2/c18-14-10-5-6-20(17(22)23)8-13(10)25-16(14)19-15(21)12-7-9-3-1-2-4-11(9)24-12/h1-4,7H,5-6,8,18H2,(H,19,21)(H,22,23)
InChIKeyXYVLVZYQANHZFT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.83
Rot. Bonds2

About 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (PubChem CID 71102232) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
PubChem CID71102232
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESNc1c(NC(=O)c2cc3ccccc3s2)sc2c1CCN(C(=O)O)C2
InChIInChI=1S/C17H15N3O3S2/c18-14-10-5-6-20(17(22)23)8-13(10)25-16(14)19-15(21)12-7-9-3-1-2-4-11(9)24-12/h1-4,7H,5-6,8,18H2,(H,19,21)(H,22,23)
InChIKeyXYVLVZYQANHZFT-UHFFFAOYSA-N
XLogP3.83
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (CID 71102232) is 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is Nc1c(NC(=O)c2cc3ccccc3s2)sc2c1CCN(C(=O)O)C2.
What is the InChIKey of 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is XYVLVZYQANHZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c18-14-10-5-6-20(17(22)23)8-13(10)25-16(14)19-15(21)12-7-9-3-1-2-4-11(9)24-12/h1-4,7H,5-6,8,18H2,(H,19,21)(H,22,23).
What are the key properties of 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 71102232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).