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

C14H16N2O2S — CID 63580705

IUPAC5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(CSCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-12-5-6-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeySMYRHIFIPBTRCF-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.62
Rot. Bonds5

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

5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63580705) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
PubChem CID63580705
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(CSCc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-12-5-6-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeySMYRHIFIPBTRCF-UHFFFAOYSA-N
XLogP2.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.62
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

N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
CID 63580531
3-methyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxylic acid
CID 55112831
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 20930873
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-[(3-methylphenyl)methylsulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 62770742

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (CID 63580705) is 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is Cc1cccc(CSCc2ccc(C(=O)NN)o2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is SMYRHIFIPBTRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-12-5-6-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 276.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63580705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).