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

C6H6BrNS — CID 141031142

IUPACpyrrolo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.c1cc2sccn2c1
InChIInChI=1S/C6H5NS.BrH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H
InChIKeyYMUYKSJFENQWSL-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.58
Rot. Bonds

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

pyrrolo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 141031142) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID141031142
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Namepyrrolo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.c1cc2sccn2c1
InChIInChI=1S/C6H5NS.BrH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H
InChIKeyYMUYKSJFENQWSL-UHFFFAOYSA-N
XLogP2.58
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazole;hydrobromide (CID 141031142) is pyrrolo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazole;hydrobromide is Br.c1cc2sccn2c1.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is YMUYKSJFENQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS.BrH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H.
What are the key properties of pyrrolo[2,1-b][1,3]thiazole;hydrobromide?
pyrrolo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 204.09 g/mol, XLogP of 2.58, 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;hydrobromide is sourced from PubChem (CID 141031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).