S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate

C7H6N2OS2 — CID 22631663

IUPACS-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate
SMILESCC(=O)Sc1ncn2ccsc12
InChIInChI=1S/C7H6N2OS2/c1-5(10)12-6-7-9(4-8-6)2-3-11-7/h2-4H,1H3
InChIKeyFFLDCDJAMZETEJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.03
Rot. Bonds1

About S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate

S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate (PubChem CID 22631663) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate.

Molecular Properties

Compound NameS-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate
PubChem CID22631663
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC NameS-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate
SMILESCC(=O)Sc1ncn2ccsc12
InChIInChI=1S/C7H6N2OS2/c1-5(10)12-6-7-9(4-8-6)2-3-11-7/h2-4H,1H3
InChIKeyFFLDCDJAMZETEJ-UHFFFAOYSA-N
XLogP2.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate 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 S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate?
The IUPAC name of S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate (CID 22631663) is S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate.
What is the SMILES notation for S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate?
The canonical SMILES for S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate is CC(=O)Sc1ncn2ccsc12.
What is the InChIKey of S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate?
The InChIKey is FFLDCDJAMZETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-5(10)12-6-7-9(4-8-6)2-3-11-7/h2-4H,1H3.
What are the key properties of S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate?
S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate has a molecular weight of 198.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-imidazo[5,1-b][1,3]thiazol-7-yl ethanethioate is sourced from PubChem (CID 22631663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).