3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide

C12H13N3O2S — CID 63580250

IUPAC3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
SMILESCc1cc(CSc2ccccn2)oc1C(=O)NN
InChIInChI=1S/C12H13N3O2S/c1-8-6-9(17-11(8)12(16)15-13)7-18-10-4-2-3-5-14-10/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyVCLIFTKJQRXIPD-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.88
Rot. Bonds4

About 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide

3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 63580250) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID63580250
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
SMILESCc1cc(CSc2ccccn2)oc1C(=O)NN
InChIInChI=1S/C12H13N3O2S/c1-8-6-9(17-11(8)12(16)15-13)7-18-10-4-2-3-5-14-10/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyVCLIFTKJQRXIPD-UHFFFAOYSA-N
XLogP1.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.88
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-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
CID 107760942
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 980324
5-[(2,5-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63575292
5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63570196

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide (CID 63580250) is 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide is Cc1cc(CSc2ccccn2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is VCLIFTKJQRXIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-6-9(17-11(8)12(16)15-13)7-18-10-4-2-3-5-14-10/h2-6H,7,13H2,1H3,(H,15,16).
What are the key properties of 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide?
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63580250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).