5-(cyclopropylamino)pyridine-2-carbothioamide

C9H11N3S — CID 115488040

IUPAC5-(cyclopropylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NC2CC2)cn1
InChIInChI=1S/C9H11N3S/c10-9(13)8-4-3-7(5-11-8)12-6-1-2-6/h3-6,12H,1-2H2,(H2,10,13)
InChIKeyORKDPIHDHXDMSV-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.29
Rot. Bonds3

About 5-(cyclopropylamino)pyridine-2-carbothioamide

5-(cyclopropylamino)pyridine-2-carbothioamide (PubChem CID 115488040) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-(cyclopropylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(cyclopropylamino)pyridine-2-carbothioamide
PubChem CID115488040
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-(cyclopropylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NC2CC2)cn1
InChIInChI=1S/C9H11N3S/c10-9(13)8-4-3-7(5-11-8)12-6-1-2-6/h3-6,12H,1-2H2,(H2,10,13)
InChIKeyORKDPIHDHXDMSV-UHFFFAOYSA-N
XLogP1.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
CID 115488674
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
CID 115488600
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
4-(cyclobutylamino)benzenecarbothioamide
CID 62415187
5-(oxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 113320878
5-(cyclopropylamino)-N-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 109180224

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)pyridine-2-carbothioamide?
The IUPAC name of 5-(cyclopropylamino)pyridine-2-carbothioamide (CID 115488040) is 5-(cyclopropylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(cyclopropylamino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(cyclopropylamino)pyridine-2-carbothioamide is NC(=S)c1ccc(NC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylamino)pyridine-2-carbothioamide?
The InChIKey is ORKDPIHDHXDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-9(13)8-4-3-7(5-11-8)12-6-1-2-6/h3-6,12H,1-2H2,(H2,10,13).
What are the key properties of 5-(cyclopropylamino)pyridine-2-carbothioamide?
5-(cyclopropylamino)pyridine-2-carbothioamide has a molecular weight of 193.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).