N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

C25H28FN3O3S — CID 17477344

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-17-3-9-21(10-4-17)32-16-23-28-18(2)24(33-23)25(30)27-15-22(29-11-13-31-14-12-29)19-5-7-20(26)8-6-19/h3-10,22H,11-16H2,1-2H3,(H,27,30)
InChIKeyOGCMXKIFYQLEMH-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.28
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 17477344) has the molecular formula C25H28FN3O3S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID17477344
Molecular FormulaC25H28FN3O3S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1
InChIInChI=1S/C25H28FN3O3S/c1-17-3-9-21(10-4-17)32-16-23-28-18(2)24(33-23)25(30)27-15-22(29-11-13-31-14-12-29)19-5-7-20(26)8-6-19/h3-10,22H,11-16H2,1-2H3,(H,27,30)
InChIKeyOGCMXKIFYQLEMH-UHFFFAOYSA-N
XLogP4.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 43006651
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
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-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 17477344) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OGCMXKIFYQLEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S/c1-17-3-9-21(10-4-17)32-16-23-28-18(2)24(33-23)25(30)27-15-22(29-11-13-31-14-12-29)19-5-7-20(26)8-6-19/h3-10,22H,11-16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.58 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17477344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).