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

C10H14N4OS — CID 57098961

IUPACN-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(N1CCc2nc[nH]c2C1)N(S)C1CC1
InChIInChI=1S/C10H14N4OS/c15-10(14(16)7-1-2-7)13-4-3-8-9(5-13)12-6-11-8/h6-7,16H,1-5H2,(H,11,12)
InChIKeyIBBSITUEJDOHOM-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.20
Rot. Bonds1

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

N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 57098961) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID57098961
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(N1CCc2nc[nH]c2C1)N(S)C1CC1
InChIInChI=1S/C10H14N4OS/c15-10(14(16)7-1-2-7)13-4-3-8-9(5-13)12-6-11-8/h6-7,16H,1-5H2,(H,11,12)
InChIKeyIBBSITUEJDOHOM-UHFFFAOYSA-N
XLogP1.20
TPSA52.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.20
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-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 57098961) is N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(N1CCc2nc[nH]c2C1)N(S)C1CC1.
What is the InChIKey of N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is IBBSITUEJDOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-10(14(16)7-1-2-7)13-4-3-8-9(5-13)12-6-11-8/h6-7,16H,1-5H2,(H,11,12).
What are the key properties of N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 57098961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).