(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one

C11H16N4O2S — CID 141389278

IUPAC(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one
SMILESCN1CCc2nc(N3C[C@H](CN)OC3=O)sc2C1
InChIInChI=1S/C11H16N4O2S/c1-14-3-2-8-9(6-14)18-10(13-8)15-5-7(4-12)17-11(15)16/h7H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyGHXZAUWSLGHDOX-ZETCQYMHSA-N
MW268.34 g/mol
LogP0.41
Rot. Bonds2

About (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 141389278) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one
PubChem CID141389278
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one
SMILESCN1CCc2nc(N3C[C@H](CN)OC3=O)sc2C1
InChIInChI=1S/C11H16N4O2S/c1-14-3-2-8-9(6-14)18-10(13-8)15-5-7(4-12)17-11(15)16/h7H,2-6,12H2,1H3/t7-/m0/s1
InChIKeyGHXZAUWSLGHDOX-ZETCQYMHSA-N
XLogP0.41
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one (CID 141389278) is (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one is CN1CCc2nc(N3C[C@H](CN)OC3=O)sc2C1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is GHXZAUWSLGHDOX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-14-3-2-8-9(6-14)18-10(13-8)15-5-7(4-12)17-11(15)16/h7H,2-6,12H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).