(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

C15H17N3O2S — CID 120923900

IUPAC(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-10-13(16-7-8-20-10)14(19)18-15-17-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10,13,16H,7-8H2,1H3,(H,17,18,19)/t10-,13+/m1/s1
InChIKeyQBNJRXHMCOACSZ-MFKMUULPSA-N
MW303.39 g/mol
LogP2.13
Rot. Bonds3

About (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (PubChem CID 120923900) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
PubChem CID120923900
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-10-13(16-7-8-20-10)14(19)18-15-17-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10,13,16H,7-8H2,1H3,(H,17,18,19)/t10-,13+/m1/s1
InChIKeyQBNJRXHMCOACSZ-MFKMUULPSA-N
XLogP2.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (CID 120923900) is (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The InChIKey is QBNJRXHMCOACSZ-MFKMUULPSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-13(16-7-8-20-10)14(19)18-15-17-9-12(21-15)11-5-3-2-4-6-11/h2-6,9-10,13,16H,7-8H2,1H3,(H,17,18,19)/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120923900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).