4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide

C16H13N3O3S2 — CID 90940981

IUPAC4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)=CS(O)(O)C=4)sc12
InChIInChI=1S/C16H13N3O3S2/c17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8/h1-7,21-22H,(H2,17,19)(H2,18,20)
InChIKeyQGHNQQHKEYXTMH-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 90940981) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID90940981
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)=CS(O)(O)C=4)sc12
InChIInChI=1S/C16H13N3O3S2/c17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8/h1-7,21-22H,(H2,17,19)(H2,18,20)
InChIKeyQGHNQQHKEYXTMH-UHFFFAOYSA-N
XLogP1.88
TPSA122.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585661
4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585658
4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10403859
4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10475997
4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
CID 71199206
4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585501
4-amino-2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)thieno[3,2-c]pyridine-7-carboxylic acid
CID 18446555
4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide
CID 71199158
4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide
CID 70950574
4-amino-N-methyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide;thieno[3,2-b]pyridine
CID 118435233
(1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridin-7-yl) hydrogen carbonate
CID 70375976
2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 59526287

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide (CID 90940981) is 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N)c2cc(-c3ccc4c(c3)=CS(O)(O)C=4)sc12.
What is the InChIKey of 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is QGHNQQHKEYXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c17-15-11-4-13(23-14(11)12(5-19-15)16(18)20)8-1-2-9-6-24(21,22)7-10(9)3-8/h1-7,21-22H,(H2,17,19)(H2,18,20).
What are the key properties of 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 90940981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).