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

C7H8N2OS — CID 130426368

IUPAC2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCCc1nc2c(s1)C(=O)NC2
InChIInChI=1S/C7H8N2OS/c1-2-5-9-4-3-8-7(10)6(4)11-5/h2-3H2,1H3,(H,8,10)
InChIKeyZUWYRBHRTZNPDA-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.95
Rot. Bonds1

About 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one

2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (PubChem CID 130426368) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
PubChem CID130426368
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCCc1nc2c(s1)C(=O)NC2
InChIInChI=1S/C7H8N2OS/c1-2-5-9-4-3-8-7(10)6(4)11-5/h2-3H2,1H3,(H,8,10)
InChIKeyZUWYRBHRTZNPDA-UHFFFAOYSA-N
XLogP0.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The IUPAC name of 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (CID 130426368) is 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.
What is the SMILES notation for 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The canonical SMILES for 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is CCc1nc2c(s1)C(=O)NC2.
What is the InChIKey of 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The InChIKey is ZUWYRBHRTZNPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-5-9-4-3-8-7(10)6(4)11-5/h2-3H2,1H3,(H,8,10).
What are the key properties of 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one has a molecular weight of 168.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is sourced from PubChem (CID 130426368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).