(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one

C10H14N2O2S — CID 912934

IUPAC(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
SMILESCC[C@@H]1C[C@@](C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C10H14N2O2S/c1-3-6-4-10(2,14-8(6)13)7-5-15-9(11)12-7/h5-6H,3-4H2,1-2H3,(H2,11,12)/t6-,10+/m1/s1
InChIKeyAHZLYJNEIRUFLI-LDWIPMOCSA-N
MW226.30 g/mol
LogP1.91
Rot. Bonds2

About (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one

(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one (PubChem CID 912934) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
PubChem CID912934
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
SMILESCC[C@@H]1C[C@@](C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C10H14N2O2S/c1-3-6-4-10(2,14-8(6)13)7-5-15-9(11)12-7/h5-6H,3-4H2,1-2H3,(H2,11,12)/t6-,10+/m1/s1
InChIKeyAHZLYJNEIRUFLI-LDWIPMOCSA-N
XLogP1.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The IUPAC name of (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one (CID 912934) is (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one is CC[C@@H]1C[C@@](C)(c2csc(N)n2)OC1=O.
What is the InChIKey of (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
The InChIKey is AHZLYJNEIRUFLI-LDWIPMOCSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-6-4-10(2,14-8(6)13)7-5-15-9(11)12-7/h5-6H,3-4H2,1-2H3,(H2,11,12)/t6-,10+/m1/s1.
What are the key properties of (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one?
(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one has a molecular weight of 226.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one is sourced from PubChem (CID 912934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).