(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

C15H17N3O3S — CID 155507363

IUPAC(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESNc1nc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C15H17N3O3S/c16-15-17-11(9-22-15)14(20)18-6-7-21-12(8-19)13(18)10-4-2-1-3-5-10/h1-5,9,12-13,19H,6-8H2,(H2,16,17)/t12-,13-/m0/s1
InChIKeyQTKNIDBBHNYYOY-STQMWFEESA-N
MW319.39 g/mol
LogP1.30
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (PubChem CID 155507363) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
PubChem CID155507363
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESNc1nc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C15H17N3O3S/c16-15-17-11(9-22-15)14(20)18-6-7-21-12(8-19)13(18)10-4-2-1-3-5-10/h1-5,9,12-13,19H,6-8H2,(H2,16,17)/t12-,13-/m0/s1
InChIKeyQTKNIDBBHNYYOY-STQMWFEESA-N
XLogP1.30
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 134704281
3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 134695483
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 134705585
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 134698352
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 134710467
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155916065
(1-benzylpyrazol-4-yl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134705844
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155495074
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155909009

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (CID 155507363) is (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is Nc1nc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The InChIKey is QTKNIDBBHNYYOY-STQMWFEESA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-15-17-11(9-22-15)14(20)18-6-7-21-12(8-19)13(18)10-4-2-1-3-5-10/h1-5,9,12-13,19H,6-8H2,(H2,16,17)/t12-,13-/m0/s1.
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone has a molecular weight of 319.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155507363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).