4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C11H13N3O3S — CID 80733660

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1C(=O)CCC1=O
InChIInChI=1S/C11H13N3O3S/c1-6-7(4-8(18-6)11(17)13-12)5-14-9(15)2-3-10(14)16/h4H,2-3,5,12H2,1H3,(H,13,17)
InChIKeyUSWYTKVFUCAPHU-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.31
Rot. Bonds3

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733660) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733660
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1C(=O)CCC1=O
InChIInChI=1S/C11H13N3O3S/c1-6-7(4-8(18-6)11(17)13-12)5-14-9(15)2-3-10(14)16/h4H,2-3,5,12H2,1H3,(H,13,17)
InChIKeyUSWYTKVFUCAPHU-UHFFFAOYSA-N
XLogP0.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.31
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 80733660) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1C(=O)CCC1=O.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is USWYTKVFUCAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-7(4-8(18-6)11(17)13-12)5-14-9(15)2-3-10(14)16/h4H,2-3,5,12H2,1H3,(H,13,17).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 267.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).