N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C10H13F3N4OS — CID 106428125

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)19-2-1-14-9(18)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,14,18)(H,16,17)
InChIKeyWMOPICRGHOZUPA-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106428125) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID106428125
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)19-2-1-14-9(18)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,14,18)(H,16,17)
InChIKeyWMOPICRGHOZUPA-UHFFFAOYSA-N
XLogP0.79
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106428125) is N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCCSC(F)(F)F)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WMOPICRGHOZUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)19-2-1-14-9(18)7-3-6-8(4-15-7)17-5-16-6/h5,7,15H,1-4H2,(H,14,18)(H,16,17).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106428125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).