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

C12H18N4S — CID 21330739

IUPACN-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESS=C(NC1CCCC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H18N4S/c17-12(15-9-3-1-2-4-9)16-6-5-10-11(7-16)14-8-13-10/h8-9H,1-7H2,(H,13,14)(H,15,17)
InChIKeyFQEWFOGWQNZPFA-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.58
Rot. Bonds1

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

N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 21330739) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID21330739
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESS=C(NC1CCCC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H18N4S/c17-12(15-9-3-1-2-4-9)16-6-5-10-11(7-16)14-8-13-10/h8-9H,1-7H2,(H,13,14)(H,15,17)
InChIKeyFQEWFOGWQNZPFA-UHFFFAOYSA-N
XLogP1.58
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330718
N-cyclohexyl-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbothioamide
CID 108780477
cyclohexylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803093
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
2-(oxan-2-ylmethoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72888083
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
CID 172873053
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
CID 21330726
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 21330739) is N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is S=C(NC1CCCC1)N1CCc2nc[nH]c2C1.
What is the InChIKey of N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is FQEWFOGWQNZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c17-12(15-9-3-1-2-4-9)16-6-5-10-11(7-16)14-8-13-10/h8-9H,1-7H2,(H,13,14)(H,15,17).
What are the key properties of N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 21330739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).