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

C12H13N3O2S — CID 63582837

IUPAC2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CSc2ccccn2)cc1C(=O)NN
InChIInChI=1S/C12H13N3O2S/c1-8-10(12(16)15-13)6-9(17-8)7-18-11-4-2-3-5-14-11/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyBIUXDXWCJIAURS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.88
Rot. Bonds4

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

2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63582837) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63582837
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESCc1oc(CSc2ccccn2)cc1C(=O)NN
InChIInChI=1S/C12H13N3O2S/c1-8-10(12(16)15-13)6-9(17-8)7-18-11-4-2-3-5-14-11/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyBIUXDXWCJIAURS-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

3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63580274
2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 107782939
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 63569641
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63582837) is 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide is Cc1oc(CSc2ccccn2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is BIUXDXWCJIAURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-10(12(16)15-13)6-9(17-8)7-18-11-4-2-3-5-14-11/h2-6H,7,13H2,1H3,(H,15,16).
What are the key properties of 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-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 2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63582837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).