3-(butan-2-ylamino)pyridine-4-carbothioamide

C10H15N3S — CID 114288006

IUPAC3-(butan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(C)Nc1cnccc1C(N)=S
InChIInChI=1S/C10H15N3S/c1-3-7(2)13-9-6-12-5-4-8(9)10(11)14/h4-7,13H,3H2,1-2H3,(H2,11,14)
InChIKeyGIPXLZLNXRVLIZ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.93
Rot. Bonds4

About 3-(butan-2-ylamino)pyridine-4-carbothioamide

3-(butan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114288006) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-(butan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114288006
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-(butan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(C)Nc1cnccc1C(N)=S
InChIInChI=1S/C10H15N3S/c1-3-7(2)13-9-6-12-5-4-8(9)10(11)14/h4-7,13H,3H2,1-2H3,(H2,11,14)
InChIKeyGIPXLZLNXRVLIZ-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
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

3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288317
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
2-(butan-2-ylamino)benzenecarbothioamide
CID 43199919
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
CID 114288338
3-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114288327
3-[1-(oxan-4-yl)ethylamino]pyridine-4-carbothioamide
CID 114115172
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
3-(2-propan-2-ylanilino)pyridine-4-carbothioamide
CID 114288058
3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(butan-2-ylamino)pyridine-4-carbothioamide (CID 114288006) is 3-(butan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(butan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(butan-2-ylamino)pyridine-4-carbothioamide is CCC(C)Nc1cnccc1C(N)=S.
What is the InChIKey of 3-(butan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is GIPXLZLNXRVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-7(2)13-9-6-12-5-4-8(9)10(11)14/h4-7,13H,3H2,1-2H3,(H2,11,14).
What are the key properties of 3-(butan-2-ylamino)pyridine-4-carbothioamide?
3-(butan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 209.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).