2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone

C16H23N3O3S — CID 92632934

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
SMILESCc1nc(CC(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)cs1
InChIInChI=1S/C16H23N3O3S/c1-12-17-13(11-23-12)9-15(20)19-7-8-22-14(10-19)16(21)18-5-3-2-4-6-18/h11,14H,2-10H2,1H3/t14-/m0/s1
InChIKeyOLKLDFCJWLOFIM-AWEZNQCLSA-N
MW337.45 g/mol
LogP1.23
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone (PubChem CID 92632934) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
PubChem CID92632934
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
SMILESCc1nc(CC(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)cs1
InChIInChI=1S/C16H23N3O3S/c1-12-17-13(11-23-12)9-15(20)19-7-8-22-14(10-19)16(21)18-5-3-2-4-6-18/h11,14H,2-10H2,1H3/t14-/m0/s1
InChIKeyOLKLDFCJWLOFIM-AWEZNQCLSA-N
XLogP1.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
(2R)-N-cyclopentyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine-2-carboxamide
CID 92633297
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407
(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 70716310
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704017
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
1-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110156506

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone (CID 92632934) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone is Cc1nc(CC(=O)N2CCO[C@H](C(=O)N3CCCCC3)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone?
The InChIKey is OLKLDFCJWLOFIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-17-13(11-23-12)9-15(20)19-7-8-22-14(10-19)16(21)18-5-3-2-4-6-18/h11,14H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 92632934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).