5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

C14H16N2O3S — CID 63581648

IUPAC5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCOc1ccccc1SCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C14H16N2O3S/c1-9-7-10(19-13(9)14(17)16-15)8-20-12-6-4-3-5-11(12)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyABCVYMSGGPGBAH-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.49
Rot. Bonds5

About 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63581648) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
PubChem CID63581648
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCOc1ccccc1SCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C14H16N2O3S/c1-9-7-10(19-13(9)14(17)16-15)8-20-12-6-4-3-5-11(12)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyABCVYMSGGPGBAH-UHFFFAOYSA-N
XLogP2.49
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.49
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

methyl 5-[(4-amino-2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 79836506
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
methyl 5-[(2-amino-5-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 79512980
methyl 5-[(2-amino-5-methylphenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 79143155
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
methyl 5-[(2-amino-5-chlorophenyl)sulfanylmethyl]-3-methylfuran-2-carboxylate
CID 79528501
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (CID 63581648) is 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is COc1ccccc1SCc1cc(C)c(C(=O)NN)o1.
What is the InChIKey of 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is ABCVYMSGGPGBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-7-10(19-13(9)14(17)16-15)8-20-12-6-4-3-5-11(12)18-2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 292.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63581648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).