2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C9H14ClN3OS — CID 46227376

IUPAC2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(N)c2C(N)=O)C1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-12-3-2-5-6(4-12)14-9(11)7(5)8(10)13;/h2-4,11H2,1H3,(H2,10,13);1H
InChIKeyYSKMJLPTHJVVSN-UHFFFAOYSA-N
MW247.75 g/mol
LogP0.84
Rot. Bonds1

About 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 46227376) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID46227376
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(N)c2C(N)=O)C1.Cl
InChIInChI=1S/C9H13N3OS.ClH/c1-12-3-2-5-6(4-12)14-9(11)7(5)8(10)13;/h2-4,11H2,1H3,(H2,10,13);1H
InChIKeyYSKMJLPTHJVVSN-UHFFFAOYSA-N
XLogP0.84
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 46227376) is 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CN1CCc2c(sc(N)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is YSKMJLPTHJVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c1-12-3-2-5-6(4-12)14-9(11)7(5)8(10)13;/h2-4,11H2,1H3,(H2,10,13);1H.
What are the key properties of 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 46227376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).