5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine

C7H11N3O2S2 — CID 82194232

IUPAC5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESCCS(=O)(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C7H11N3O2S2/c1-2-14(11,12)10-3-5-6(4-10)13-7(8)9-5/h2-4H2,1H3,(H2,8,9)
InChIKeyOSMSPZMMJWHUAD-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.39
Rot. Bonds2

About 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine

5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine (PubChem CID 82194232) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
PubChem CID82194232
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESCCS(=O)(=O)N1Cc2nc(N)sc2C1
InChIInChI=1S/C7H11N3O2S2/c1-2-14(11,12)10-3-5-6(4-10)13-7(8)9-5/h2-4H2,1H3,(H2,8,9)
InChIKeyOSMSPZMMJWHUAD-UHFFFAOYSA-N
XLogP0.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine (CID 82194232) is 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine is CCS(=O)(=O)N1Cc2nc(N)sc2C1.
What is the InChIKey of 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The InChIKey is OSMSPZMMJWHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-2-14(11,12)10-3-5-6(4-10)13-7(8)9-5/h2-4H2,1H3,(H2,8,9).
What are the key properties of 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 82194232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).