2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C6H9ClN4O2S — CID 118373199

IUPAC2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(CCNCl)o1
InChIInChI=1S/C6H9ClN4O2S/c7-9-2-1-5-10-11-6(13-5)14-3-4(8)12/h9H,1-3H2,(H2,8,12)
InChIKeyHPOLCCKWHUUIRU-UHFFFAOYSA-N
MW236.68 g/mol
LogP-0.07
Rot. Bonds6

About 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 118373199) has the molecular formula C6H9ClN4O2S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID118373199
Molecular FormulaC6H9ClN4O2S
Molecular Weight236.68 g/mol
Exact Mass236.01
IUPAC Name2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(CCNCl)o1
InChIInChI=1S/C6H9ClN4O2S/c7-9-2-1-5-10-11-6(13-5)14-3-4(8)12/h9H,1-3H2,(H2,8,12)
InChIKeyHPOLCCKWHUUIRU-UHFFFAOYSA-N
XLogP-0.07
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide 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 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 118373199) is 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(CCNCl)o1.
What is the InChIKey of 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HPOLCCKWHUUIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O2S/c7-9-2-1-5-10-11-6(13-5)14-3-4(8)12/h9H,1-3H2,(H2,8,12).
What are the key properties of 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 236.68 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 118373199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).