7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

C11H10N2O3S2 — CID 54737210

IUPAC7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESC=CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C11H10N2O3S2/c1-2-3-17-11-7(10(12)16)8-9(18-11)5(14)4-6(15)13-8/h2,4H,1,3H2,(H2,12,16)(H2,13,14,15)
InChIKeyGVXACVVGEIWLFF-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.67
Rot. Bonds4

About 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54737210) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54737210
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESC=CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C11H10N2O3S2/c1-2-3-17-11-7(10(12)16)8-9(18-11)5(14)4-6(15)13-8/h2,4H,1,3H2,(H2,12,16)(H2,13,14,15)
InChIKeyGVXACVVGEIWLFF-UHFFFAOYSA-N
XLogP1.67
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54737210) is 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is C=CCSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is GVXACVVGEIWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-2-3-17-11-7(10(12)16)8-9(18-11)5(14)4-6(15)13-8/h2,4H,1,3H2,(H2,12,16)(H2,13,14,15).
What are the key properties of 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).