1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide

C15H18N4S — CID 54775678

IUPAC1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
SMILESCc1nc2c(n1C)CCN(C(=S)Nc1ccccc1)C2
InChIInChI=1S/C15H18N4S/c1-11-16-13-10-19(9-8-14(13)18(11)2)15(20)17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,20)
InChIKeyICULCFOSHLKPEM-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.48
Rot. Bonds1

About 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide

1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 54775678) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID54775678
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
SMILESCc1nc2c(n1C)CCN(C(=S)Nc1ccccc1)C2
InChIInChI=1S/C15H18N4S/c1-11-16-13-10-19(9-8-14(13)18(11)2)15(20)17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,20)
InChIKeyICULCFOSHLKPEM-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[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-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
CID 115629749
14-methyl-2-oxo-N-phenyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carbothioamide
CID 4205477
11-methyl-2-oxo-N-phenyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carbothioamide
CID 5092972
4-methyl-3-oxo-N-phenyl-1,4-diazepane-1-carbothioamide
CID 102846819
3,3-dimethyl-N-phenylpyrrolidine-1-carbothioamide
CID 115662460
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-phenyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 45366687
2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
CID 4085607
N-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 3772062
1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
CID 113081661
1,5-dimethyl-3-N,7-N-diphenyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
CID 2215176
9-methyl-N-phenyl-3,9-diazabicyclo[4.2.1]nonane-3-carbothioamide
CID 115667354

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide (CID 54775678) is 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide is Cc1nc2c(n1C)CCN(C(=S)Nc1ccccc1)C2.
What is the InChIKey of 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is ICULCFOSHLKPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-11-16-13-10-19(9-8-14(13)18(11)2)15(20)17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,20).
What are the key properties of 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 286.40 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 54775678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).