2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide

C12H10F3N3O2S — CID 63580032

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-10(17-5-7)21-6-9-8(3-4-20-9)11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyUQVHOGMDEIBVBW-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.59
Rot. Bonds4

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580032) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580032
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-10(17-5-7)21-6-9-8(3-4-20-9)11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyUQVHOGMDEIBVBW-UHFFFAOYSA-N
XLogP2.59
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(3-pyridinylmethylene)-3-furohydrazide
CID 5335234
2-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]furan-3-carboxamide
CID 5393102
5-[[5-(Trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carbohydrazide
CID 2821357
N-[2-(furan-2-ylmethyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
CID 70685662
(2,5-Dimethylfuran-3-yl)(4-((pyridin-2-ylthio)methyl)piperidin-1-yl)methanone
CID 71800704
2-methyl-N-[1-(3-pyridinyl)ethylideneamino]-3-furancarboxamide
CID 687859
2-methyl-N-(3-pyridinylmethylideneamino)-3-furancarboxamide
CID 1679083
N-(2-(2-fluorophenyl)-1-{1-[(2-pyridinylthio)acetyl]-4-piperidinyl}ethyl)-N,2-dimethyl-3-furamide
CID 45246245
2-methyl-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]furan-3-carbohydrazide
CID 6374067
N'-[(E)-furan-2-ylmethylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 6870596
2-[(2-Furylmethyl)thio]-5-(trifluoromethyl)pyridine
CID 2780633
[2-[2-(Furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 8382017

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide (CID 63580032) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is UQVHOGMDEIBVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-2-10(17-5-7)21-6-9-8(3-4-20-9)11(19)18-16/h1-5H,6,16H2,(H,18,19).
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 317.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).