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

C12H10F3N3O2S — CID 2821357

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-4-10(17-5-7)21-6-8-2-3-9(20-8)11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyVUDZPUWSTPDFTA-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.59
Rot. Bonds4

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

5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 2821357) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
PubChem CID2821357
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-4-10(17-5-7)21-6-8-2-3-9(20-8)11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyVUDZPUWSTPDFTA-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

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 7285259
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6884749
3-fluoro-N'-{[5-(2-pyridinylsulfanyl)-2-furyl]methylene}benzohydrazide
CID 5400938
N-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]furan-2-carboxamide
CID 1277287
N'-(4-chlorobenzoyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
CID 2821436
N'-(3-chlorobenzoyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
CID 2821437
N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 40488138
2-(5-Carboxyfurfurylthio)-5-(trifluoromethyl)pyridine
CID 2736458
N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxamide
CID 2821405
(Propan-2-ylideneamino) 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carboxylate
CID 2821407
Morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone
CID 2821410
N'-(4-tert-butylbenzoyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide
CID 2821435

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide (CID 2821357) is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is VUDZPUWSTPDFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)7-1-4-10(17-5-7)21-6-8-2-3-9(20-8)11(19)18-16/h1-5H,6,16H2,(H,18,19).
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide?
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-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 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 2821357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).