7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride

C10H13ClN2OS — CID 175780387

IUPAC7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride
SMILESCC(C)Nc1cc(=O)[nH]c2ccsc12.Cl
InChIInChI=1S/C10H12N2OS.ClH/c1-6(2)11-8-5-9(13)12-7-3-4-14-10(7)8;/h3-6H,1-2H3,(H2,11,12,13);1H
InChIKeyUSJYNIGMYXIMQP-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.83
Rot. Bonds2

About 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride

7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride (PubChem CID 175780387) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride.

Molecular Properties

Compound Name7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride
PubChem CID175780387
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride
SMILESCC(C)Nc1cc(=O)[nH]c2ccsc12.Cl
InChIInChI=1S/C10H12N2OS.ClH/c1-6(2)11-8-5-9(13)12-7-3-4-14-10(7)8;/h3-6H,1-2H3,(H2,11,12,13);1H
InChIKeyUSJYNIGMYXIMQP-UHFFFAOYSA-N
XLogP2.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride?
The IUPAC name of 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride (CID 175780387) is 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride.
What is the SMILES notation for 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride?
The canonical SMILES for 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride is CC(C)Nc1cc(=O)[nH]c2ccsc12.Cl.
What is the InChIKey of 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride?
The InChIKey is USJYNIGMYXIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS.ClH/c1-6(2)11-8-5-9(13)12-7-3-4-14-10(7)8;/h3-6H,1-2H3,(H2,11,12,13);1H.
What are the key properties of 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride?
7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride has a molecular weight of 244.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride is sourced from PubChem (CID 175780387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).