pyrrolo[1,2-b][1,2]thiazol-5-ol

C6H5NOS — CID 68623125

IUPACpyrrolo[1,2-b][1,2]thiazol-5-ol
SMILESOc1cc2ccsn2c1
InChIInChI=1S/C6H5NOS/c8-6-3-5-1-2-9-7(5)4-6/h1-4,8H
InChIKeyQJJYRQLYXGDGFT-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.71
Rot. Bonds

About pyrrolo[1,2-b][1,2]thiazol-5-ol

pyrrolo[1,2-b][1,2]thiazol-5-ol (PubChem CID 68623125) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is pyrrolo[1,2-b][1,2]thiazol-5-ol.

Molecular Properties

Compound Namepyrrolo[1,2-b][1,2]thiazol-5-ol
PubChem CID68623125
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Namepyrrolo[1,2-b][1,2]thiazol-5-ol
SMILESOc1cc2ccsn2c1
InChIInChI=1S/C6H5NOS/c8-6-3-5-1-2-9-7(5)4-6/h1-4,8H
InChIKeyQJJYRQLYXGDGFT-UHFFFAOYSA-N
XLogP1.71
TPSA24.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyrrolo[1,2-b][1,2]thiazol-5-ol 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 pyrrolo[1,2-b][1,2]thiazol-5-ol?
The IUPAC name of pyrrolo[1,2-b][1,2]thiazol-5-ol (CID 68623125) is pyrrolo[1,2-b][1,2]thiazol-5-ol.
What is the SMILES notation for pyrrolo[1,2-b][1,2]thiazol-5-ol?
The canonical SMILES for pyrrolo[1,2-b][1,2]thiazol-5-ol is Oc1cc2ccsn2c1.
What is the InChIKey of pyrrolo[1,2-b][1,2]thiazol-5-ol?
The InChIKey is QJJYRQLYXGDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c8-6-3-5-1-2-9-7(5)4-6/h1-4,8H.
What are the key properties of pyrrolo[1,2-b][1,2]thiazol-5-ol?
pyrrolo[1,2-b][1,2]thiazol-5-ol has a molecular weight of 139.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-b][1,2]thiazol-5-ol is sourced from PubChem (CID 68623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).