thiolane-2-carbohydrazide

C5H10N2OS — CID 44558398

IUPACthiolane-2-carbohydrazide
SMILESNNC(=O)C1CCCS1
InChIInChI=1S/C5H10N2OS/c6-7-5(8)4-2-1-3-9-4/h4H,1-3,6H2,(H,7,8)
InChIKeyCXHDBCCCNTZLHF-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.13
Rot. Bonds1

About thiolane-2-carbohydrazide

thiolane-2-carbohydrazide (PubChem CID 44558398) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is thiolane-2-carbohydrazide.

Molecular Properties

Compound Namethiolane-2-carbohydrazide
PubChem CID44558398
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Namethiolane-2-carbohydrazide
SMILESNNC(=O)C1CCCS1
InChIInChI=1S/C5H10N2OS/c6-7-5(8)4-2-1-3-9-4/h4H,1-3,6H2,(H,7,8)
InChIKeyCXHDBCCCNTZLHF-UHFFFAOYSA-N
XLogP-0.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 thiolane-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 thiolane-2-carbohydrazide?
The IUPAC name of thiolane-2-carbohydrazide (CID 44558398) is thiolane-2-carbohydrazide.
What is the SMILES notation for thiolane-2-carbohydrazide?
The canonical SMILES for thiolane-2-carbohydrazide is NNC(=O)C1CCCS1.
What is the InChIKey of thiolane-2-carbohydrazide?
The InChIKey is CXHDBCCCNTZLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-7-5(8)4-2-1-3-9-4/h4H,1-3,6H2,(H,7,8).
What are the key properties of thiolane-2-carbohydrazide?
thiolane-2-carbohydrazide has a molecular weight of 146.22 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane-2-carbohydrazide is sourced from PubChem (CID 44558398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).