4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

C9H10N4O3S — CID 63572048

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2C(=O)CCC2=O)cs1
InChIInChI=1S/C9H10N4O3S/c10-12-8(16)9-11-5(4-17-9)3-13-6(14)1-2-7(13)15/h4H,1-3,10H2,(H,12,16)
InChIKeyPWASWYMADLPGJM-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.60
Rot. Bonds3

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63572048) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63572048
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2C(=O)CCC2=O)cs1
InChIInChI=1S/C9H10N4O3S/c10-12-8(16)9-11-5(4-17-9)3-13-6(14)1-2-7(13)15/h4H,1-3,10H2,(H,12,16)
InChIKeyPWASWYMADLPGJM-UHFFFAOYSA-N
XLogP-0.60
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.60
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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 63572048) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2C(=O)CCC2=O)cs1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is PWASWYMADLPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c10-12-8(16)9-11-5(4-17-9)3-13-6(14)1-2-7(13)15/h4H,1-3,10H2,(H,12,16).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 254.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).