prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

C10H12N4O2S — CID 108727687

IUPACprop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESC=CCOC(=O)Nc1nc2sc(C)c(C)n2n1
InChIInChI=1S/C10H12N4O2S/c1-4-5-16-10(15)12-8-11-9-14(13-8)6(2)7(3)17-9/h4H,1,5H2,2-3H3,(H,12,13,15)
InChIKeyCOIZRBIJQSYRCS-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.14
Rot. Bonds3

About prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (PubChem CID 108727687) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
PubChem CID108727687
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Nameprop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESC=CCOC(=O)Nc1nc2sc(C)c(C)n2n1
InChIInChI=1S/C10H12N4O2S/c1-4-5-16-10(15)12-8-11-9-14(13-8)6(2)7(3)17-9/h4H,1,5H2,2-3H3,(H,12,13,15)
InChIKeyCOIZRBIJQSYRCS-UHFFFAOYSA-N
XLogP2.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-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-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The IUPAC name of prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (CID 108727687) is prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is C=CCOC(=O)Nc1nc2sc(C)c(C)n2n1.
What is the InChIKey of prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The InChIKey is COIZRBIJQSYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-4-5-16-10(15)12-8-11-9-14(13-8)6(2)7(3)17-9/h4H,1,5H2,2-3H3,(H,12,13,15).
What are the key properties of prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate has a molecular weight of 252.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is sourced from PubChem (CID 108727687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).