5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide

C12H19N3S — CID 115488219

IUPAC5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
SMILESCCCN(c1ccc(C(N)=S)nc1)C(C)C
InChIInChI=1S/C12H19N3S/c1-4-7-15(9(2)3)10-5-6-11(12(13)16)14-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,13,16)
InChIKeyRUAXLRSQBAMAGO-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.34
Rot. Bonds5

About 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide

5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide (PubChem CID 115488219) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
PubChem CID115488219
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
SMILESCCCN(c1ccc(C(N)=S)nc1)C(C)C
InChIInChI=1S/C12H19N3S/c1-4-7-15(9(2)3)10-5-6-11(12(13)16)14-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,13,16)
InChIKeyRUAXLRSQBAMAGO-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[propan-2-yl(propyl)amino]pyridine-2-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

5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112585369
4-[propan-2-yl(propyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 43269752
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
methyl 3-[(6-carbamothioyl-3-pyridinyl)-methylamino]-2-methylpropanoate
CID 115488441
2-[(6-carbamothioyl-3-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 113320870
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700
5-(N,4-dimethylanilino)pyridine-2-carbothioamide
CID 115488502

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide (CID 115488219) is 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide is CCCN(c1ccc(C(N)=S)nc1)C(C)C.
What is the InChIKey of 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide?
The InChIKey is RUAXLRSQBAMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-7-15(9(2)3)10-5-6-11(12(13)16)14-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,13,16).
What are the key properties of 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide?
5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide has a molecular weight of 237.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).