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

C14H15N3OS — CID 62927141

IUPAC4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cc(N(Cc2ccco2)C2CC2)ccn1
InChIInChI=1S/C14H15N3OS/c15-14(19)13-8-11(5-6-16-13)17(10-3-4-10)9-12-2-1-7-18-12/h1-2,5-8,10H,3-4,9H2,(H2,15,19)
InChIKeyAXEFSGNWSOTTGH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.48
Rot. Bonds5

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

4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide (PubChem CID 62927141) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
PubChem CID62927141
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
SMILESNC(=S)c1cc(N(Cc2ccco2)C2CC2)ccn1
InChIInChI=1S/C14H15N3OS/c15-14(19)13-8-11(5-6-16-13)17(10-3-4-10)9-12-2-1-7-18-12/h1-2,5-8,10H,3-4,9H2,(H2,15,19)
InChIKeyAXEFSGNWSOTTGH-UHFFFAOYSA-N
XLogP2.48
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.48
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

4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
CID 62925199
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
5-[cyclopropyl(furan-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756890
3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
CID 106532772
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
CID 106529823
4-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 60876467
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide (CID 62927141) is 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide is NC(=S)c1cc(N(Cc2ccco2)C2CC2)ccn1.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide?
The InChIKey is AXEFSGNWSOTTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14(19)13-8-11(5-6-16-13)17(10-3-4-10)9-12-2-1-7-18-12/h1-2,5-8,10H,3-4,9H2,(H2,15,19).
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide?
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide has a molecular weight of 273.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62927141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).