2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

C25H25F3N2O4S — CID 71735409

IUPAC2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1c(-c2ccc(OCC(=O)NCC3CCOCC3)cc2)nsc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-16-23(30-35-24(16)19-4-8-21(9-5-19)34-25(26,27)28)18-2-6-20(7-3-18)33-15-22(31)29-14-17-10-12-32-13-11-17/h2-9,17H,10-15H2,1H3,(H,29,31)
InChIKeyFRBXQCHBRCFDGF-UHFFFAOYSA-N
MW506.55 g/mol
LogP5.61
Rot. Bonds8

About 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 71735409) has the molecular formula C25H25F3N2O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID71735409
Molecular FormulaC25H25F3N2O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1c(-c2ccc(OCC(=O)NCC3CCOCC3)cc2)nsc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H25F3N2O4S/c1-16-23(30-35-24(16)19-4-8-21(9-5-19)34-25(26,27)28)18-2-6-20(7-3-18)33-15-22(31)29-14-17-10-12-32-13-11-17/h2-9,17H,10-15H2,1H3,(H,29,31)
InChIKeyFRBXQCHBRCFDGF-UHFFFAOYSA-N
XLogP5.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71737015
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634
2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921448
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 166633689
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7373516
2-[4-[(Z)-C-ethyl-N-(5-ethylpyrimidin-2-yl)oxycarbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921555
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 114969179
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 71735409) is 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is Cc1c(-c2ccc(OCC(=O)NCC3CCOCC3)cc2)nsc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is FRBXQCHBRCFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O4S/c1-16-23(30-35-24(16)19-4-8-21(9-5-19)34-25(26,27)28)18-2-6-20(7-3-18)33-15-22(31)29-14-17-10-12-32-13-11-17/h2-9,17H,10-15H2,1H3,(H,29,31).
What are the key properties of 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 506.55 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-thiazol-3-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 71735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).