5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one

C12H15NO2S — CID 112557081

IUPAC5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCCCCO
InChIInChI=1S/C12H15NO2S/c14-8-3-1-2-6-13-7-4-11-10(12(13)15)5-9-16-11/h4-5,7,9,14H,1-3,6,8H2
InChIKeyNVIVMTUJXKZKDB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.23
Rot. Bonds5

About 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one

5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one (PubChem CID 112557081) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
PubChem CID112557081
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCCCCO
InChIInChI=1S/C12H15NO2S/c14-8-3-1-2-6-13-7-4-11-10(12(13)15)5-9-16-11/h4-5,7,9,14H,1-3,6,8H2
InChIKeyNVIVMTUJXKZKDB-UHFFFAOYSA-N
XLogP2.23
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
CID 106731694
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one (CID 112557081) is 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CCCCCO.
What is the InChIKey of 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is NVIVMTUJXKZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-8-3-1-2-6-13-7-4-11-10(12(13)15)5-9-16-11/h4-5,7,9,14H,1-3,6,8H2.
What are the key properties of 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one?
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 237.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).