5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one

C5H4N2OS — CID 84618134

IUPAC5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one
SMILESO=C1NCc2scnc21
InChIInChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)9-2-7-4/h2H,1H2,(H,6,8)
InChIKeyTZZMYQJDRORIRP-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.39
Rot. Bonds

About 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one

5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one (PubChem CID 84618134) has the molecular formula C5H4N2OS and a molecular weight of 140.17 g/mol. Its IUPAC name is 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one.

Molecular Properties

Compound Name5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one
PubChem CID84618134
Molecular FormulaC5H4N2OS
Molecular Weight140.17 g/mol
Exact Mass140.00
IUPAC Name5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one
SMILESO=C1NCc2scnc21
InChIInChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)9-2-7-4/h2H,1H2,(H,6,8)
InChIKeyTZZMYQJDRORIRP-UHFFFAOYSA-N
XLogP0.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one?
The IUPAC name of 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one (CID 84618134) is 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one.
What is the SMILES notation for 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one?
The canonical SMILES for 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one is O=C1NCc2scnc21.
What is the InChIKey of 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one?
The InChIKey is TZZMYQJDRORIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)9-2-7-4/h2H,1H2,(H,6,8).
What are the key properties of 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one?
5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one has a molecular weight of 140.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrrolo[3,4-d][1,3]thiazol-4-one is sourced from PubChem (CID 84618134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).