4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide

C7H15N3O3S — CID 63577606

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide
SMILESNNC(=O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H15N3O3S/c8-9-7(11)3-1-4-10-5-2-6-14(10,12)13/h1-6,8H2,(H,9,11)
InChIKeyPWDCOJOPOWXMJO-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.21
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide (PubChem CID 63577606) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide
PubChem CID63577606
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide
SMILESNNC(=O)CCCN1CCCS1(=O)=O
InChIInChI=1S/C7H15N3O3S/c8-9-7(11)3-1-4-10-5-2-6-14(10,12)13/h1-6,8H2,(H,9,11)
InChIKeyPWDCOJOPOWXMJO-UHFFFAOYSA-N
XLogP-1.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide (CID 63577606) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide is NNC(=O)CCCN1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide?
The InChIKey is PWDCOJOPOWXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c8-9-7(11)3-1-4-10-5-2-6-14(10,12)13/h1-6,8H2,(H,9,11).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide has a molecular weight of 221.28 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)butanehydrazide is sourced from PubChem (CID 63577606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).