1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone

C16H21N3O3S — CID 95768087

IUPAC1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
SMILESCCc1csc([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1
InChIInChI=1S/C16H21N3O3S/c1-3-13-10-23-16(17-13)12-5-4-6-19(8-12)15(20)9-21-14-7-11(2)22-18-14/h7,10,12H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLRKJXZUDECHBOS-LBPRGKRZSA-N
MW335.43 g/mol
LogP2.79
Rot. Bonds5

About 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone

1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (PubChem CID 95768087) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
PubChem CID95768087
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
SMILESCCc1csc([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1
InChIInChI=1S/C16H21N3O3S/c1-3-13-10-23-16(17-13)12-5-4-6-19(8-12)15(20)9-21-14-7-11(2)22-18-14/h7,10,12H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLRKJXZUDECHBOS-LBPRGKRZSA-N
XLogP2.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95734457
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 138016873
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 113340535
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736420
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95767968

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The IUPAC name of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone (CID 95768087) is 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone.
What is the SMILES notation for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The canonical SMILES for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is CCc1csc([C@H]2CCCN(C(=O)COc3cc(C)on3)C2)n1.
What is the InChIKey of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
The InChIKey is LRKJXZUDECHBOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-13-10-23-16(17-13)12-5-4-6-19(8-12)15(20)9-21-14-7-11(2)22-18-14/h7,10,12H,3-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone?
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone has a molecular weight of 335.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone is sourced from PubChem (CID 95768087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).