5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C11H14N4O3S2 — CID 28505377

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C11H14N4O3S2/c1-6-10(7(2)18-14-6)20(16,17)15-4-3-8-9(5-15)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13)
InChIKeyFGAAPNOCSPOWEC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.08
Rot. Bonds2

About 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 28505377) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID28505377
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C11H14N4O3S2/c1-6-10(7(2)18-14-6)20(16,17)15-4-3-8-9(5-15)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13)
InChIKeyFGAAPNOCSPOWEC-UHFFFAOYSA-N
XLogP1.08
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 28505377) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is Cc1noc(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is FGAAPNOCSPOWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-6-10(7(2)18-14-6)20(16,17)15-4-3-8-9(5-15)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 28505377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).