2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide

C10H14N2O3S — CID 34756674

IUPAC2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C10H14N2O3S/c1-7-8(3-5-15-7)10(14)12-11-9(13)4-6-16-2/h3,5H,4,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyZEUNMGQXEUPHOF-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.10
Rot. Bonds4

About 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide

2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide (PubChem CID 34756674) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
PubChem CID34756674
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
SMILESCSCCC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C10H14N2O3S/c1-7-8(3-5-15-7)10(14)12-11-9(13)4-6-16-2/h3,5H,4,6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyZEUNMGQXEUPHOF-UHFFFAOYSA-N
XLogP1.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
CID 5103163
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472811
1-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 34027065
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide (CID 34756674) is 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide is CSCCC(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide?
The InChIKey is ZEUNMGQXEUPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-8(3-5-15-7)10(14)12-11-9(13)4-6-16-2/h3,5H,4,6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide?
2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide has a molecular weight of 242.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide is sourced from PubChem (CID 34756674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).