5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one

C11H16N2O2S — CID 2901235

IUPAC5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C11H16N2O2S/c1-6(2)7-4-11(3,15-9(7)14)8-5-16-10(12)13-8/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyHKFLYRJFMVGMAU-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one

5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one (PubChem CID 2901235) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one
PubChem CID2901235
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one
SMILESCC(C)C1CC(C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C11H16N2O2S/c1-6(2)7-4-11(3,15-9(7)14)8-5-16-10(12)13-8/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyHKFLYRJFMVGMAU-UHFFFAOYSA-N
XLogP2.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one (CID 2901235) is 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one is CC(C)C1CC(C)(c2csc(N)n2)OC1=O.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one?
The InChIKey is HKFLYRJFMVGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6(2)7-4-11(3,15-9(7)14)8-5-16-10(12)13-8/h5-7H,4H2,1-3H3,(H2,12,13).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one?
5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one has a molecular weight of 240.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 2901235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).