pyrrolo[2,1-b][1,3]thiazole

C6H5NS — CID 15326816

IUPACpyrrolo[2,1-b][1,3]thiazole
SMILESc1cc2sccn2c1
InChIInChI=1S/C6H5NS/c1-2-6-7(3-1)4-5-8-6/h1-5H
InChIKeyMOVFAUAADQBPRE-UHFFFAOYSA-N
MW123.18 g/mol
LogP2.00
Rot. Bonds

About pyrrolo[2,1-b][1,3]thiazole

pyrrolo[2,1-b][1,3]thiazole (PubChem CID 15326816) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazole
PubChem CID15326816
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Namepyrrolo[2,1-b][1,3]thiazole
SMILESc1cc2sccn2c1
InChIInChI=1S/C6H5NS/c1-2-6-7(3-1)4-5-8-6/h1-5H
InChIKeyMOVFAUAADQBPRE-UHFFFAOYSA-N
XLogP2.00
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pyrrolo[2,1-b][1,3]thiazole 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[2,1-b][1,3]thiazole?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazole (CID 15326816) is pyrrolo[2,1-b][1,3]thiazole.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazole?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazole is c1cc2sccn2c1.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazole?
The InChIKey is MOVFAUAADQBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-2-6-7(3-1)4-5-8-6/h1-5H.
What are the key properties of pyrrolo[2,1-b][1,3]thiazole?
pyrrolo[2,1-b][1,3]thiazole has a molecular weight of 123.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15326816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).