3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide

C13H15N3S2 — CID 114288308

IUPAC3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCC(Cc1ccsc1)Nc1cnccc1C(N)=S
InChIInChI=1S/C13H15N3S2/c1-9(6-10-3-5-18-8-10)16-12-7-15-4-2-11(12)13(14)17/h2-5,7-9,16H,6H2,1H3,(H2,14,17)
InChIKeyUPOMDPDOKXHMNO-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.82
Rot. Bonds5

About 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide

3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114288308) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114288308
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCC(Cc1ccsc1)Nc1cnccc1C(N)=S
InChIInChI=1S/C13H15N3S2/c1-9(6-10-3-5-18-8-10)16-12-7-15-4-2-11(12)13(14)17/h2-5,7-9,16H,6H2,1H3,(H2,14,17)
InChIKeyUPOMDPDOKXHMNO-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288317
3-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114288327
1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
CID 115923213
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
CID 114288338
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide (CID 114288308) is 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide is CC(Cc1ccsc1)Nc1cnccc1C(N)=S.
What is the InChIKey of 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is UPOMDPDOKXHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-9(6-10-3-5-18-8-10)16-12-7-15-4-2-11(12)13(14)17/h2-5,7-9,16H,6H2,1H3,(H2,14,17).
What are the key properties of 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide?
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).