5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

C10H13N5O2S — CID 163845688

IUPAC5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCN1C=N[N-][NH+]1CN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C10H13N5O2S/c1-13-5-11-12-15(13)6-14-9(16)4-8-7(10(14)17)2-3-18-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyOPXVOGYPLJEILX-UHFFFAOYSA-N
MW267.31 g/mol
LogP-1.07
Rot. Bonds2

About 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (PubChem CID 163845688) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.

Molecular Properties

Compound Name5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
PubChem CID163845688
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCN1C=N[N-][NH+]1CN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C10H13N5O2S/c1-13-5-11-12-15(13)6-14-9(16)4-8-7(10(14)17)2-3-18-8/h4-5,7,15H,2-3,6H2,1H3
InChIKeyOPXVOGYPLJEILX-UHFFFAOYSA-N
XLogP-1.07
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione 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 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The IUPAC name of 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (CID 163845688) is 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.
What is the SMILES notation for 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The canonical SMILES for 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is CN1C=N[N-][NH+]1CN1C(=O)C=C2SCCC2C1=O.
What is the InChIKey of 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The InChIKey is OPXVOGYPLJEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-13-5-11-12-15(13)6-14-9(16)4-8-7(10(14)17)2-3-18-8/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione has a molecular weight of 267.31 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-2-yl)methyl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is sourced from PubChem (CID 163845688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).