7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

C13H15N3O4S2 — CID 54727686

IUPAC7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C13H15N3O4S2/c1-5(2)15-8(19)4-21-13-9(12(14)20)10-11(22-13)6(17)3-7(18)16-10/h3,5H,4H2,1-2H3,(H2,14,20)(H,15,19)(H2,16,17,18)
InChIKeyMVSPDMOMFXWSBW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.01
Rot. Bonds5

About 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54727686) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54727686
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C13H15N3O4S2/c1-5(2)15-8(19)4-21-13-9(12(14)20)10-11(22-13)6(17)3-7(18)16-10/h3,5H,4H2,1-2H3,(H2,14,20)(H,15,19)(H2,16,17,18)
InChIKeyMVSPDMOMFXWSBW-UHFFFAOYSA-N
XLogP1.01
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54727686) is 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is CC(C)NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is MVSPDMOMFXWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-5(2)15-8(19)4-21-13-9(12(14)20)10-11(22-13)6(17)3-7(18)16-10/h3,5H,4H2,1-2H3,(H2,14,20)(H,15,19)(H2,16,17,18).
What are the key properties of 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54727686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).