(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

C17H19ClF3N3O2S — CID 120920488

IUPAC(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C17H18F3N3O2S.ClH/c1-10-14(21-5-6-25-10)15(24)23-16-22-9-13(26-16)8-11-3-2-4-12(7-11)17(18,19)20;/h2-4,7,9-10,14,21H,5-6,8H2,1H3,(H,22,23,24);1H/t10-,14+;/m1./s1
InChIKeyYEUKKOKMKAZJEP-LOSLGVLSSA-N
MW421.87 g/mol
LogP3.49
Rot. Bonds4

About (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120920488) has the molecular formula C17H19ClF3N3O2S and a molecular weight of 421.87 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID120920488
Molecular FormulaC17H19ClF3N3O2S
Molecular Weight421.87 g/mol
Exact Mass421.08
IUPAC Name(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C17H18F3N3O2S.ClH/c1-10-14(21-5-6-25-10)15(24)23-16-22-9-13(26-16)8-11-3-2-4-12(7-11)17(18,19)20;/h2-4,7,9-10,14,21H,5-6,8H2,1H3,(H,22,23,24);1H/t10-,14+;/m1./s1
InChIKeyYEUKKOKMKAZJEP-LOSLGVLSSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6490726
(2R,3S)-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935514
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
(2R,3S)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120921499
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (CID 120920488) is (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is YEUKKOKMKAZJEP-LOSLGVLSSA-N. The full InChI is InChI=1S/C17H18F3N3O2S.ClH/c1-10-14(21-5-6-25-10)15(24)23-16-22-9-13(26-16)8-11-3-2-4-12(7-11)17(18,19)20;/h2-4,7,9-10,14,21H,5-6,8H2,1H3,(H,22,23,24);1H/t10-,14+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 421.87 g/mol, XLogP of 3.49, 4 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-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).