(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride

C17H22ClN3O2S — CID 120918381

IUPAC(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-12-15(18-9-10-22-12)16(21)19-8-7-14-11-23-17(20-14)13-5-3-2-4-6-13;/h2-6,11-12,15,18H,7-10H2,1H3,(H,19,21);1H/t12-,15+;/m1./s1
InChIKeyLELSBRKFMROHQY-YLCXCWDSSA-N
MW367.90 g/mol
LogP2.27
Rot. Bonds5

About (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120918381) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120918381
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-12-15(18-9-10-22-12)16(21)19-8-7-14-11-23-17(20-14)13-5-3-2-4-6-13;/h2-6,11-12,15,18H,7-10H2,1H3,(H,19,21);1H/t12-,15+;/m1./s1
InChIKeyLELSBRKFMROHQY-YLCXCWDSSA-N
XLogP2.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
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(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
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(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
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(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride (CID 120918381) is (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is LELSBRKFMROHQY-YLCXCWDSSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-12-15(18-9-10-22-12)16(21)19-8-7-14-11-23-17(20-14)13-5-3-2-4-6-13;/h2-6,11-12,15,18H,7-10H2,1H3,(H,19,21);1H/t12-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.27, 5 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-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).