3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide

C13H15N3OS — CID 113269575

IUPAC3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCCN(Cc1ccco1)c1cnccc1C(N)=S
InChIInChI=1S/C13H15N3OS/c1-2-16(9-10-4-3-7-17-10)12-8-15-6-5-11(12)13(14)18/h3-8H,2,9H2,1H3,(H2,14,18)
InChIKeyODESFBLWMRUVRL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.34
Rot. Bonds5

About 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide

3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide (PubChem CID 113269575) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide
PubChem CID113269575
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCCN(Cc1ccco1)c1cnccc1C(N)=S
InChIInChI=1S/C13H15N3OS/c1-2-16(9-10-4-3-7-17-10)12-8-15-6-5-11(12)13(14)18/h3-8H,2,9H2,1H3,(H2,14,18)
InChIKeyODESFBLWMRUVRL-UHFFFAOYSA-N
XLogP2.34
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
3-[cyclopropylmethyl(ethyl)amino]pyridine-4-carbothioamide
CID 114288566
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
2-[butyl-(4-carbamothioyl-3-pyridinyl)amino]acetamide
CID 113269629
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
2-[(4-carbamothioyl-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114288382

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide (CID 113269575) is 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide is CCN(Cc1ccco1)c1cnccc1C(N)=S.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide?
The InChIKey is ODESFBLWMRUVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-16(9-10-4-3-7-17-10)12-8-15-6-5-11(12)13(14)18/h3-8H,2,9H2,1H3,(H2,14,18).
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide?
3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide has a molecular weight of 261.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 113269575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).