imidazo[5,1-b][1,3]thiazole-3,7-diol

C5H4N2O2S — CID 21107714

IUPACimidazo[5,1-b][1,3]thiazole-3,7-diol
SMILESOc1ncn2c(O)csc12
InChIInChI=1S/C5H4N2O2S/c8-3-1-10-5-4(9)6-2-7(3)5/h1-2,8-9H
InChIKeyYMSYQVPXQVKKLL-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.81
Rot. Bonds

About imidazo[5,1-b][1,3]thiazole-3,7-diol

imidazo[5,1-b][1,3]thiazole-3,7-diol (PubChem CID 21107714) has the molecular formula C5H4N2O2S and a molecular weight of 156.17 g/mol. Its IUPAC name is imidazo[5,1-b][1,3]thiazole-3,7-diol.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]thiazole-3,7-diol
PubChem CID21107714
Molecular FormulaC5H4N2O2S
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Nameimidazo[5,1-b][1,3]thiazole-3,7-diol
SMILESOc1ncn2c(O)csc12
InChIInChI=1S/C5H4N2O2S/c8-3-1-10-5-4(9)6-2-7(3)5/h1-2,8-9H
InChIKeyYMSYQVPXQVKKLL-UHFFFAOYSA-N
XLogP0.81
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b][1,3]thiazole-3,7-diol?
The IUPAC name of imidazo[5,1-b][1,3]thiazole-3,7-diol (CID 21107714) is imidazo[5,1-b][1,3]thiazole-3,7-diol.
What is the SMILES notation for imidazo[5,1-b][1,3]thiazole-3,7-diol?
The canonical SMILES for imidazo[5,1-b][1,3]thiazole-3,7-diol is Oc1ncn2c(O)csc12.
What is the InChIKey of imidazo[5,1-b][1,3]thiazole-3,7-diol?
The InChIKey is YMSYQVPXQVKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S/c8-3-1-10-5-4(9)6-2-7(3)5/h1-2,8-9H.
What are the key properties of imidazo[5,1-b][1,3]thiazole-3,7-diol?
imidazo[5,1-b][1,3]thiazole-3,7-diol has a molecular weight of 156.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b][1,3]thiazole-3,7-diol is sourced from PubChem (CID 21107714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).