3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide

C9H9N3O3S2 — CID 63639887

IUPAC3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1C(=O)CSC1=O
InChIInChI=1S/C9H9N3O3S2/c10-11-8(14)7-5(1-2-16-7)3-12-6(13)4-17-9(12)15/h1-2H,3-4,10H2,(H,11,14)
InChIKeyQJCYETPTBHAJNZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.55
Rot. Bonds3

About 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63639887) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63639887
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CN1C(=O)CSC1=O
InChIInChI=1S/C9H9N3O3S2/c10-11-8(14)7-5(1-2-16-7)3-12-6(13)4-17-9(12)15/h1-2H,3-4,10H2,(H,11,14)
InChIKeyQJCYETPTBHAJNZ-UHFFFAOYSA-N
XLogP0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3157072
3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
CID 63640929
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide (CID 63639887) is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CN1C(=O)CSC1=O.
What is the InChIKey of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is QJCYETPTBHAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c10-11-8(14)7-5(1-2-16-7)3-12-6(13)4-17-9(12)15/h1-2H,3-4,10H2,(H,11,14).
What are the key properties of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide?
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 271.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63639887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).