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

C6H7N3S — CID 21107797

IUPACpyrrolo[2,1-b][1,3]thiazole-2,3-diamine
SMILESNc1sc2cccn2c1N
InChIInChI=1S/C6H7N3S/c7-5-6(8)10-4-2-1-3-9(4)5/h1-3H,7-8H2
InChIKeyCFZTUEDLUOVOHC-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.17
Rot. Bonds

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

pyrrolo[2,1-b][1,3]thiazole-2,3-diamine (PubChem CID 21107797) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazole-2,3-diamine.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazole-2,3-diamine
PubChem CID21107797
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Namepyrrolo[2,1-b][1,3]thiazole-2,3-diamine
SMILESNc1sc2cccn2c1N
InChIInChI=1S/C6H7N3S/c7-5-6(8)10-4-2-1-3-9(4)5/h1-3H,7-8H2
InChIKeyCFZTUEDLUOVOHC-UHFFFAOYSA-N
XLogP1.17
TPSA56.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3]thiazole-2,3-diamine?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazole-2,3-diamine (CID 21107797) is pyrrolo[2,1-b][1,3]thiazole-2,3-diamine.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazole-2,3-diamine?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazole-2,3-diamine is Nc1sc2cccn2c1N.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazole-2,3-diamine?
The InChIKey is CFZTUEDLUOVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-5-6(8)10-4-2-1-3-9(4)5/h1-3H,7-8H2.
What are the key properties of pyrrolo[2,1-b][1,3]thiazole-2,3-diamine?
pyrrolo[2,1-b][1,3]thiazole-2,3-diamine has a molecular weight of 153.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3]thiazole-2,3-diamine is sourced from PubChem (CID 21107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).