7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one

C12H16N2O2S — CID 90948537

IUPAC7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCCC(CC)Nc1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C12H16N2O2S/c1-3-7(4-2)13-9-10(15)11-8(5-6-17-11)14-12(9)16/h5-7,13H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyGSZWSHUEPKTGTL-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.90
Rot. Bonds4

About 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one

7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 90948537) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID90948537
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCCC(CC)Nc1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C12H16N2O2S/c1-3-7(4-2)13-9-10(15)11-8(5-6-17-11)14-12(9)16/h5-7,13H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyGSZWSHUEPKTGTL-UHFFFAOYSA-N
XLogP2.90
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-Hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamido)acetic Acid
CID 54749369
Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
(3Z)-3-[ethylamino(hydroxy)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 54696630
3-[[2-[2-Methylpropyl(propan-2-yl)amino]acetyl]amino]thiophene-2-carboxylic acid
CID 23540420
7-Hydroxy-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carbonitrile
CID 54679170
4-Ethyl-7-hydroxy-6-nitrothieno[3,2-b]pyridin-5-one
CID 54705224
4-Butyl-7-hydroxy-6-nitrothieno[3,2-b]pyridin-5-one
CID 54705225
7-Hydroxy-4-(2-methylpropyl)-6-nitrothieno[3,2-b]pyridin-5-one
CID 54705227
7-Hydroxy-6-nitro-4-propan-2-ylthieno[3,2-b]pyridin-5-one
CID 54705229
7-Hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one
CID 54714003
N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54729680
2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
CID 54741195

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one (CID 90948537) is 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one is CCC(CC)Nc1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is GSZWSHUEPKTGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-7(4-2)13-9-10(15)11-8(5-6-17-11)14-12(9)16/h5-7,13H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 252.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 90948537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).