5-(2-cyclopropylethylamino)pyridine-2-carbothioamide

C11H15N3S — CID 115488684

IUPAC5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCC2CC2)cn1
InChIInChI=1S/C11H15N3S/c12-11(15)10-4-3-9(7-14-10)13-6-5-8-1-2-8/h3-4,7-8,13H,1-2,5-6H2,(H2,12,15)
InChIKeyCQFCOYWEPRHGKR-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.93
Rot. Bonds5

About 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide

5-(2-cyclopropylethylamino)pyridine-2-carbothioamide (PubChem CID 115488684) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
PubChem CID115488684
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCC2CC2)cn1
InChIInChI=1S/C11H15N3S/c12-11(15)10-4-3-9(7-14-10)13-6-5-8-1-2-8/h3-4,7-8,13H,1-2,5-6H2,(H2,12,15)
InChIKeyCQFCOYWEPRHGKR-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.93
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-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
CID 113320854
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
5-(oxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 113320878
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
CID 60919964

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide (CID 115488684) is 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide is NC(=S)c1ccc(NCCC2CC2)cn1.
What is the InChIKey of 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide?
The InChIKey is CQFCOYWEPRHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-11(15)10-4-3-9(7-14-10)13-6-5-8-1-2-8/h3-4,7-8,13H,1-2,5-6H2,(H2,12,15).
What are the key properties of 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide?
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 115488684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).