2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride

C13H19Cl2N3S — CID 23155798

IUPAC2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride
SMILESCc1cc2c(N3CCNC(C)C3)nccc2s1.Cl.Cl
InChIInChI=1S/C13H17N3S.2ClH/c1-9-8-16(6-5-14-9)13-11-7-10(2)17-12(11)3-4-15-13;;/h3-4,7,9,14H,5-6,8H2,1-2H3;2*1H
InChIKeyNGDLWOKWAMGPCE-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.25
Rot. Bonds1

About 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride

2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride (PubChem CID 23155798) has the molecular formula C13H19Cl2N3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride
PubChem CID23155798
Molecular FormulaC13H19Cl2N3S
Molecular Weight320.29 g/mol
Exact Mass319.07
IUPAC Name2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride
SMILESCc1cc2c(N3CCNC(C)C3)nccc2s1.Cl.Cl
InChIInChI=1S/C13H17N3S.2ClH/c1-9-8-16(6-5-14-9)13-11-7-10(2)17-12(11)3-4-15-13;;/h3-4,7,9,14H,5-6,8H2,1-2H3;2*1H
InChIKeyNGDLWOKWAMGPCE-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride?
The IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride (CID 23155798) is 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride?
The canonical SMILES for 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride is Cc1cc2c(N3CCNC(C)C3)nccc2s1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride?
The InChIKey is NGDLWOKWAMGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S.2ClH/c1-9-8-16(6-5-14-9)13-11-7-10(2)17-12(11)3-4-15-13;;/h3-4,7,9,14H,5-6,8H2,1-2H3;2*1H.
What are the key properties of 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride?
2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride has a molecular weight of 320.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperazin-1-yl)thieno[3,2-c]pyridine;dihydrochloride is sourced from PubChem (CID 23155798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).