3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide

C12H12N2O2S2 — CID 47402265

IUPAC3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sccc2C)s1
InChIInChI=1S/C12H12N2O2S2/c1-7-5-6-17-10(7)12(16)14-13-11(15)9-4-3-8(2)18-9/h3-6H,1-2H3,(H,13,15)(H,14,16)
InChIKeyIAFNKRWGVQRNAS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds2

About 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide

3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide (PubChem CID 47402265) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide
PubChem CID47402265
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sccc2C)s1
InChIInChI=1S/C12H12N2O2S2/c1-7-5-6-17-10(7)12(16)14-13-11(15)9-4-3-8(2)18-9/h3-6H,1-2H3,(H,13,15)(H,14,16)
InChIKeyIAFNKRWGVQRNAS-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide (CID 47402265) is 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2sccc2C)s1.
What is the InChIKey of 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide?
The InChIKey is IAFNKRWGVQRNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-7-5-6-17-10(7)12(16)14-13-11(15)9-4-3-8(2)18-9/h3-6H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide?
3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(5-methylthiophene-2-carbonyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 47402265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).