tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate

C26H28Cl2N2O4S — CID 67073283

IUPACtert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3csc(-c4ccc(Cl)cc4)n3)c(Cl)c2)C1
InChIInChI=1S/C26H28Cl2N2O4S/c1-26(2,3)34-25(31)30-10-11-32-21(14-30)12-17-4-9-23(22(28)13-17)33-15-20-16-35-24(29-20)18-5-7-19(27)8-6-18/h4-9,13,16,21H,10-12,14-15H2,1-3H3/t21-/m1/s1
InChIKeyJAUAEWWOEJLOFY-OAQYLSRUSA-N
MW535.49 g/mol
LogP6.87
Rot. Bonds6

About tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate (PubChem CID 67073283) has the molecular formula C26H28Cl2N2O4S and a molecular weight of 535.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
PubChem CID67073283
Molecular FormulaC26H28Cl2N2O4S
Molecular Weight535.49 g/mol
Exact Mass534.11
IUPAC Nametert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3csc(-c4ccc(Cl)cc4)n3)c(Cl)c2)C1
InChIInChI=1S/C26H28Cl2N2O4S/c1-26(2,3)34-25(31)30-10-11-32-21(14-30)12-17-4-9-23(22(28)13-17)33-15-20-16-35-24(29-20)18-5-7-19(27)8-6-18/h4-9,13,16,21H,10-12,14-15H2,1-3H3/t21-/m1/s1
InChIKeyJAUAEWWOEJLOFY-OAQYLSRUSA-N
XLogP6.87
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.49
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[[3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
CID 67073372
tert-butyl 2-[[3-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
CID 67073293
tert-butyl 2-[[3-chloro-4-[4-(difluoromethyl)piperidin-1-yl]phenyl]methyl]morpholine-4-carboxylate
CID 176912813
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
2-[4-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 119247502
tert-butyl 2-[[2-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]methyl]morpholine-4-carboxylate
CID 90946461
[5-chloro-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methyl]phenyl]boronic acid
CID 151136506
tert-butyl 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]methyl]piperidine-1-carboxylate
CID 164601895
tert-butyl (3S)-3-[3-[(2,4-dichlorophenoxy)methyl]phenyl]pyrrolidine-1-carboxylate
CID 166496992
tert-butyl 3-[3-[(2,4-dichlorophenoxy)methyl]phenyl]pyrrolidine-1-carboxylate
CID 166114390
tert-butyl 2-[[4-chloro-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine-4-carboxylate
CID 170961274
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate (CID 67073283) is tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3csc(-c4ccc(Cl)cc4)n3)c(Cl)c2)C1.
What is the InChIKey of tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate?
The InChIKey is JAUAEWWOEJLOFY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28Cl2N2O4S/c1-26(2,3)34-25(31)30-10-11-32-21(14-30)12-17-4-9-23(22(28)13-17)33-15-20-16-35-24(29-20)18-5-7-19(27)8-6-18/h4-9,13,16,21H,10-12,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate has a molecular weight of 535.49 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[3-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 67073283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).