N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C9H14N4OS — CID 57063593

IUPACN-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCN(S)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C9H14N4OS/c1-2-13(15)9(14)12-4-3-7-8(5-12)11-6-10-7/h6,15H,2-5H2,1H3,(H,10,11)
InChIKeyJVVSMKFWDCZRHX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.05
Rot. Bonds1

About N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 57063593) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID57063593
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCN(S)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C9H14N4OS/c1-2-13(15)9(14)12-4-3-7-8(5-12)11-6-10-7/h6,15H,2-5H2,1H3,(H,10,11)
InChIKeyJVVSMKFWDCZRHX-UHFFFAOYSA-N
XLogP1.05
TPSA52.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 57063593) is N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is CCN(S)C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is JVVSMKFWDCZRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-13(15)9(14)12-4-3-7-8(5-12)11-6-10-7/h6,15H,2-5H2,1H3,(H,10,11).
What are the key properties of N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 57063593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).