prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate

C7H9N3O2S — CID 3770898

IUPACprop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESC=CCOC(=O)Nc1snnc1C
InChIInChI=1S/C7H9N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3H,1,4H2,2H3,(H,8,11)
InChIKeyIQRKMHZBFOMGRY-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.58
Rot. Bonds3

About prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate

prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 3770898) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID3770898
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Nameprop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESC=CCOC(=O)Nc1snnc1C
InChIInChI=1S/C7H9N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3H,1,4H2,2H3,(H,8,11)
InChIKeyIQRKMHZBFOMGRY-UHFFFAOYSA-N
XLogP1.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate 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 prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate (CID 3770898) is prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate is C=CCOC(=O)Nc1snnc1C.
What is the InChIKey of prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is IQRKMHZBFOMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-3-4-12-7(11)8-6-5(2)9-10-13-6/h3H,1,4H2,2H3,(H,8,11).
What are the key properties of prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate?
prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 199.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 3770898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).