ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one

C12H19NO2S — CID 162759779

IUPACethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCC.CC.Cc1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C8H7NO2S.2C2H6/c1-4-2-5-8(12-4)6(10)3-7(11)9-5;2*1-2/h2-3H,1H3,(H2,9,10,11);2*1-2H3
InChIKeyDSMZYFIBUQIWDP-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.66
Rot. Bonds

About ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one

ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 162759779) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Nameethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID162759779
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCC.CC.Cc1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C8H7NO2S.2C2H6/c1-4-2-5-8(12-4)6(10)3-7(11)9-5;2*1-2/h2-3H,1H3,(H2,9,10,11);2*1-2H3
InChIKeyDSMZYFIBUQIWDP-UHFFFAOYSA-N
XLogP3.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (CID 162759779) is ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one is CC.CC.Cc1cc2[nH]c(=O)cc(O)c2s1.
What is the InChIKey of ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is DSMZYFIBUQIWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S.2C2H6/c1-4-2-5-8(12-4)6(10)3-7(11)9-5;2*1-2/h2-3H,1H3,(H2,9,10,11);2*1-2H3.
What are the key properties of ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 241.36 g/mol, XLogP of 3.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 162759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).