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

C16H20ClN3O2S — CID 120929298

IUPAC(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1csc(-c2cccc(NC(=O)[C@H]3NCCO[C@@H]3C)c2)n1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-9-22-16(18-10)12-4-3-5-13(8-12)19-15(20)14-11(2)21-7-6-17-14;/h3-5,8-9,11,14,17H,6-7H2,1-2H3,(H,19,20);1H/t11-,14+;/m1./s1
InChIKeyNQAKBQUFOXKRQB-GGMFNZDASA-N
MW353.88 g/mol
LogP2.86
Rot. Bonds3

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

(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120929298) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120929298
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1csc(-c2cccc(NC(=O)[C@H]3NCCO[C@@H]3C)c2)n1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-9-22-16(18-10)12-4-3-5-13(8-12)19-15(20)14-11(2)21-7-6-17-14;/h3-5,8-9,11,14,17H,6-7H2,1-2H3,(H,19,20);1H/t11-,14+;/m1./s1
InChIKeyNQAKBQUFOXKRQB-GGMFNZDASA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
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(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
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(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
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(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
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(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 120929298) is (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride is Cc1csc(-c2cccc(NC(=O)[C@H]3NCCO[C@@H]3C)c2)n1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is NQAKBQUFOXKRQB-GGMFNZDASA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-10-9-22-16(18-10)12-4-3-5-13(8-12)19-15(20)14-11(2)21-7-6-17-14;/h3-5,8-9,11,14,17H,6-7H2,1-2H3,(H,19,20);1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.86, 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-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120929298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).