6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide

C12H13N3OS — CID 54954330

IUPAC6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2ccco2)nc1
InChIInChI=1S/C12H13N3OS/c13-12(17)9-3-4-11(15-8-9)14-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6H2,(H2,13,17)(H,14,15)
InChIKeyLZPWNRLVZSYPNF-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.96
Rot. Bonds5

About 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide

6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 54954330) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID54954330
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2ccco2)nc1
InChIInChI=1S/C12H13N3OS/c13-12(17)9-3-4-11(15-8-9)14-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6H2,(H2,13,17)(H,14,15)
InChIKeyLZPWNRLVZSYPNF-UHFFFAOYSA-N
XLogP1.96
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.96
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

2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954281
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 63826078
6-(3-phenoxypropylamino)pyridine-3-carbothioamide
CID 62380787
2-(furan-2-yl)ethylthiourea
CID 61472901
6-[(2-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944875
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
6-[3-(2-methylpropoxy)propylamino]pyridine-3-carbothioamide
CID 114098075
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
N-(furan-2-ylmethyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109155396
2-[(5-carbamothioyl-2-pyridinyl)amino]-N-propylacetamide
CID 43567540

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide (CID 54954330) is 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide is NC(=S)c1ccc(NCCc2ccco2)nc1.
What is the InChIKey of 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is LZPWNRLVZSYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-12(17)9-3-4-11(15-8-9)14-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6H2,(H2,13,17)(H,14,15).
What are the key properties of 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 247.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 54954330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).