(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide

C17H19N3O3S — CID 92633198

IUPAC(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)cs1
InChIInChI=1S/C17H19N3O3S/c1-12-18-14(11-24-12)9-16(21)20-7-8-23-15(10-20)17(22)19-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeySTSXTWBMONSKKF-HNNXBMFYSA-N
MW345.42 g/mol
LogP1.86
Rot. Bonds4

About (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide

(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide (PubChem CID 92633198) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
PubChem CID92633198
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)cs1
InChIInChI=1S/C17H19N3O3S/c1-12-18-14(11-24-12)9-16(21)20-7-8-23-15(10-20)17(22)19-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeySTSXTWBMONSKKF-HNNXBMFYSA-N
XLogP1.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine-2-carboxamide
CID 92633297
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704017
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583762

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide (CID 92633198) is (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide is Cc1nc(CC(=O)N2CCO[C@H](C(=O)Nc3ccccc3)C2)cs1.
What is the InChIKey of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide?
The InChIKey is STSXTWBMONSKKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-18-14(11-24-12)9-16(21)20-7-8-23-15(10-20)17(22)19-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide?
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 92633198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).