pyrrolo[2,1-b][1,3]thiazol-5-amine

C6H6N2S — CID 21107793

IUPACpyrrolo[2,1-b][1,3]thiazol-5-amine
SMILESNc1ccc2sccn12
InChIInChI=1S/C6H6N2S/c7-5-1-2-6-8(5)3-4-9-6/h1-4H,7H2
InChIKeyHJWPIYJHHSCUKX-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.58
Rot. Bonds

About pyrrolo[2,1-b][1,3]thiazol-5-amine

pyrrolo[2,1-b][1,3]thiazol-5-amine (PubChem CID 21107793) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazol-5-amine
PubChem CID21107793
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Namepyrrolo[2,1-b][1,3]thiazol-5-amine
SMILESNc1ccc2sccn12
InChIInChI=1S/C6H6N2S/c7-5-1-2-6-8(5)3-4-9-6/h1-4H,7H2
InChIKeyHJWPIYJHHSCUKX-UHFFFAOYSA-N
XLogP1.58
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazol-5-amine (CID 21107793) is pyrrolo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazol-5-amine is Nc1ccc2sccn12.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is HJWPIYJHHSCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c7-5-1-2-6-8(5)3-4-9-6/h1-4H,7H2.
What are the key properties of pyrrolo[2,1-b][1,3]thiazol-5-amine?
pyrrolo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 138.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 21107793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).