5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C8H13N3O2S2 — CID 28505349

IUPAC5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCCS(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C8H13N3O2S2/c1-2-15(12,13)11-4-3-6-7(5-11)14-8(9)10-6/h2-5H2,1H3,(H2,9,10)
InChIKeyCLVJLMKQXQJLAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.43
Rot. Bonds2

About 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 28505349) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID28505349
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCCS(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C8H13N3O2S2/c1-2-15(12,13)11-4-3-6-7(5-11)14-8(9)10-6/h2-5H2,1H3,(H2,9,10)
InChIKeyCLVJLMKQXQJLAR-UHFFFAOYSA-N
XLogP0.43
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 28505349) is 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is CCS(=O)(=O)N1CCc2nc(N)sc2C1.
What is the InChIKey of 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is CLVJLMKQXQJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-2-15(12,13)11-4-3-6-7(5-11)14-8(9)10-6/h2-5H2,1H3,(H2,9,10).
What are the key properties of 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 247.34 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 28505349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).