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

C5H4N2OS — CID 67453541

IUPAC4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESO=C1NCc2ncsc21
InChIInChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)7-2-9-4/h2H,1H2,(H,6,8)
InChIKeyBCRHMAZIUFJNEM-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.39
Rot. Bonds

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

4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (PubChem CID 67453541) has the molecular formula C5H4N2OS and a molecular weight of 140.17 g/mol. Its IUPAC name is 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
PubChem CID67453541
Molecular FormulaC5H4N2OS
Molecular Weight140.17 g/mol
Exact Mass140.00
IUPAC Name4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESO=C1NCc2ncsc21
InChIInChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)7-2-9-4/h2H,1H2,(H,6,8)
InChIKeyBCRHMAZIUFJNEM-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 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The IUPAC name of 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (CID 67453541) is 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.
What is the SMILES notation for 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The canonical SMILES for 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is O=C1NCc2ncsc21.
What is the InChIKey of 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The InChIKey is BCRHMAZIUFJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2OS/c8-5-4-3(1-6-5)7-2-9-4/h2H,1H2,(H,6,8).
What are the key properties of 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-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 4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is sourced from PubChem (CID 67453541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).