N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

C8H12N4S — CID 21330718

IUPACN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H12N4S/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11)
InChIKeyUCMZPBLRPQBJKS-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.27
Rot. Bonds

About N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 21330718) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID21330718
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC NameN-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H12N4S/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11)
InChIKeyUCMZPBLRPQBJKS-UHFFFAOYSA-N
XLogP0.27
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 21330718) is N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is CNC(=S)N1CCc2nc[nH]c2C1.
What is the InChIKey of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is UCMZPBLRPQBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-9-8(13)12-3-2-6-7(4-12)11-5-10-6/h5H,2-4H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 196.28 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 21330718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).