2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide

C13H15N3S2 — CID 54964485

IUPAC2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
SMILESCCC(Nc1cc(C(N)=S)ccn1)c1cccs1
InChIInChI=1S/C13H15N3S2/c1-2-10(11-4-3-7-18-11)16-12-8-9(13(14)17)5-6-15-12/h3-8,10H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyBBZZKUPBXBECQX-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.34
Rot. Bonds5

About 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide

2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide (PubChem CID 54964485) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
PubChem CID54964485
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
SMILESCCC(Nc1cc(C(N)=S)ccn1)c1cccs1
InChIInChI=1S/C13H15N3S2/c1-2-10(11-4-3-7-18-11)16-12-8-9(13(14)17)5-6-15-12/h3-8,10H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyBBZZKUPBXBECQX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-thiophen-2-ylpropylamino)pyridine-4-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

6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
CID 61467404
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
CID 106596907
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide (CID 54964485) is 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide is CCC(Nc1cc(C(N)=S)ccn1)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide?
The InChIKey is BBZZKUPBXBECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-2-10(11-4-3-7-18-11)16-12-8-9(13(14)17)5-6-15-12/h3-8,10H,2H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide?
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide has a molecular weight of 277.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 54964485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).