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

C12H13N3OS — CID 54954281

IUPAC2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1NCCc1ccco1
InChIInChI=1S/C12H13N3OS/c13-11(17)10-4-1-6-14-12(10)15-7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H2,13,17)(H,14,15)
InChIKeyRKQIPQWLHBBMIA-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.96
Rot. Bonds5

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

2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 54954281) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID54954281
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1NCCc1ccco1
InChIInChI=1S/C12H13N3OS/c13-11(17)10-4-1-6-14-12(10)15-7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H2,13,17)(H,14,15)
InChIKeyRKQIPQWLHBBMIA-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

6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954330
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-(furan-2-yl)ethylthiourea
CID 61472901
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
2-(1,4-dioxan-2-ylmethylamino)pyridine-3-carbothioamide
CID 54908353
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 114183857
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide (CID 54954281) is 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide is NC(=S)c1cccnc1NCCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is RKQIPQWLHBBMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-11(17)10-4-1-6-14-12(10)15-7-5-9-3-2-8-16-9/h1-4,6,8H,5,7H2,(H2,13,17)(H,14,15).
What are the key properties of 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide?
2-[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 2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 54954281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).