N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C24H27N3O3S — CID 31429944

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-26-22(19-6-4-3-5-7-19)23(31-17)24(28)25-16-21(27-12-14-30-15-13-27)18-8-10-20(29-2)11-9-18/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyYYIBVXSFTHIMSN-NRFANRHFSA-N
MW437.57 g/mol
LogP3.93
Rot. Bonds7

About N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 31429944) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID31429944
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17-26-22(19-6-4-3-5-7-19)23(31-17)24(28)25-16-21(27-12-14-30-15-13-27)18-8-10-20(29-2)11-9-18/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyYYIBVXSFTHIMSN-NRFANRHFSA-N
XLogP3.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31444098
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 39969584
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 31429944) is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc([C@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YYIBVXSFTHIMSN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-26-22(19-6-4-3-5-7-19)23(31-17)24(28)25-16-21(27-12-14-30-15-13-27)18-8-10-20(29-2)11-9-18/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31429944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).