5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one

C14H17NO4S — CID 167784284

IUPAC5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC(O)C1(O)CCOCC1
InChIInChI=1S/C14H17NO4S/c16-12(14(18)3-6-19-7-4-14)9-15-5-1-11-10(13(15)17)2-8-20-11/h1-2,5,8,12,16,18H,3-4,6-7,9H2
InChIKeyKTIBUGIVUDHDPV-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.97
Rot. Bonds3

About 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one

5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 167784284) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID167784284
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CC(O)C1(O)CCOCC1
InChIInChI=1S/C14H17NO4S/c16-12(14(18)3-6-19-7-4-14)9-15-5-1-11-10(13(15)17)2-8-20-11/h1-2,5,8,12,16,18H,3-4,6-7,9H2
InChIKeyKTIBUGIVUDHDPV-UHFFFAOYSA-N
XLogP0.97
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one (CID 167784284) is 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CC(O)C1(O)CCOCC1.
What is the InChIKey of 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is KTIBUGIVUDHDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-12(14(18)3-6-19-7-4-14)9-15-5-1-11-10(13(15)17)2-8-20-11/h1-2,5,8,12,16,18H,3-4,6-7,9H2.
What are the key properties of 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 295.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-2-(4-hydroxyoxan-4-yl)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 167784284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).