(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one

C13H20N2O2S — CID 1096885

IUPAC(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@](C)(c2csc(NCC)n2)OC1=O
InChIInChI=1S/C13H20N2O2S/c1-4-6-9-7-13(3,17-11(9)16)10-8-18-12(15-10)14-5-2/h8-9H,4-7H2,1-3H3,(H,14,15)/t9-,13-/m1/s1
InChIKeyLZXHJQQKFFQSHT-NOZJJQNGSA-N
MW268.38 g/mol
LogP3.15
Rot. Bonds5

About (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one

(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one (PubChem CID 1096885) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
PubChem CID1096885
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@](C)(c2csc(NCC)n2)OC1=O
InChIInChI=1S/C13H20N2O2S/c1-4-6-9-7-13(3,17-11(9)16)10-8-18-12(15-10)14-5-2/h8-9H,4-7H2,1-3H3,(H,14,15)/t9-,13-/m1/s1
InChIKeyLZXHJQQKFFQSHT-NOZJJQNGSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The IUPAC name of (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one (CID 1096885) is (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one is CCC[C@@H]1C[C@](C)(c2csc(NCC)n2)OC1=O.
What is the InChIKey of (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
The InChIKey is LZXHJQQKFFQSHT-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-6-9-7-13(3,17-11(9)16)10-8-18-12(15-10)14-5-2/h8-9H,4-7H2,1-3H3,(H,14,15)/t9-,13-/m1/s1.
What are the key properties of (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one?
(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one has a molecular weight of 268.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one is sourced from PubChem (CID 1096885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).