4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

C16H20N4S — CID 4111938

IUPAC4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCC(C)NC(=S)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C16H20N4S/c1-11(2)19-16(21)20-9-8-13-14(18-10-17-13)15(20)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyMCBFETZWABNQDI-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.64
Rot. Bonds2

About 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 4111938) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID4111938
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCC(C)NC(=S)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C16H20N4S/c1-11(2)19-16(21)20-9-8-13-14(18-10-17-13)15(20)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyMCBFETZWABNQDI-UHFFFAOYSA-N
XLogP2.64
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-propan-2-yl-1,4,6,7-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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 4111938) is 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is CC(C)NC(=S)N1CCc2[nH]cnc2C1c1ccccc1.
What is the InChIKey of 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is MCBFETZWABNQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-11(2)19-16(21)20-9-8-13-14(18-10-17-13)15(20)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 300.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 4111938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).