1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol

C9H9NO2S — CID 155541633

IUPAC1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol
SMILESOCC(O)c1cc2ccsc2cn1
InChIInChI=1S/C9H9NO2S/c11-5-8(12)7-3-6-1-2-13-9(6)4-10-7/h1-4,8,11-12H,5H2
InChIKeyJCIHBVISWDMUIX-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.32
Rot. Bonds2

About 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol

1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol (PubChem CID 155541633) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol.

Molecular Properties

Compound Name1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol
PubChem CID155541633
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol
SMILESOCC(O)c1cc2ccsc2cn1
InChIInChI=1S/C9H9NO2S/c11-5-8(12)7-3-6-1-2-13-9(6)4-10-7/h1-4,8,11-12H,5H2
InChIKeyJCIHBVISWDMUIX-UHFFFAOYSA-N
XLogP1.32
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol?
The IUPAC name of 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol (CID 155541633) is 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol.
What is the SMILES notation for 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol?
The canonical SMILES for 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol is OCC(O)c1cc2ccsc2cn1.
What is the InChIKey of 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol?
The InChIKey is JCIHBVISWDMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-5-8(12)7-3-6-1-2-13-9(6)4-10-7/h1-4,8,11-12H,5H2.
What are the key properties of 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol?
1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol has a molecular weight of 195.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-c]pyridin-5-ylethane-1,2-diol is sourced from PubChem (CID 155541633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).