5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide

C15H18N2O2S — CID 63581065

IUPAC5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(CSCc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-3-5-12(6-10)8-20-9-13-7-14(15(18)17-16)19-11(13)2/h3-7H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyFXEKHQDTUPOADS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.93
Rot. Bonds5

About 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide

5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63581065) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
PubChem CID63581065
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(CSCc2cc(C(=O)NN)oc2C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-3-5-12(6-10)8-20-9-13-7-14(15(18)17-16)19-11(13)2/h3-7H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyFXEKHQDTUPOADS-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
4-(3-hydroxypropylsulfanylmethyl)-5-methylfuran-2-carbohydrazide
CID 66126413
2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
CID 63580531
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590649
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582698
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
4-[2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanyl]ethylsulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 21231587

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (CID 63581065) is 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is Cc1cccc(CSCc2cc(C(=O)NN)oc2C)c1.
What is the InChIKey of 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is FXEKHQDTUPOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-3-5-12(6-10)8-20-9-13-7-14(15(18)17-16)19-11(13)2/h3-7H,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 290.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).