4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

C13H16N4O3S — CID 80733693

IUPAC4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCn1ccc(=O)n(Cc2cc(C(=O)NN)sc2C)c1=O
InChIInChI=1S/C13H16N4O3S/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(12(19)15-14)21-8(9)2/h4-6H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyQJYQDYABQGVISU-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.05
Rot. Bonds4

About 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide

4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733693) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733693
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCn1ccc(=O)n(Cc2cc(C(=O)NN)sc2C)c1=O
InChIInChI=1S/C13H16N4O3S/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(12(19)15-14)21-8(9)2/h4-6H,3,7,14H2,1-2H3,(H,15,19)
InChIKeyQJYQDYABQGVISU-UHFFFAOYSA-N
XLogP0.05
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[(3-ethyl-2,6-dioxopyrimidin-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

Related Compounds

4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745255
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660
5-methyl-4-[(4-methyl-6-oxopyridazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106549176
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
CID 80733848
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745244
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734097
5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733692
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-4-fluorobenzamide
CID 63810922
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide (CID 80733693) is 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is CCn1ccc(=O)n(Cc2cc(C(=O)NN)sc2C)c1=O.
What is the InChIKey of 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is QJYQDYABQGVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-3-16-5-4-11(18)17(13(16)20)7-9-6-10(12(19)15-14)21-8(9)2/h4-6H,3,7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide?
4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 308.36 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).