N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C22H20F3N3O5S — CID 11562323

IUPACN-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O5S/c1-31-18-5-3-2-4-14(18)10-27-21(30)17-13-34-20(28-17)11-26-19(29)12-32-15-6-8-16(9-7-15)33-22(23,24)25/h2-9,13H,10-12H2,1H3,(H,26,29)(H,27,30)
InChIKeyONXRWYNMYOXCJX-UHFFFAOYSA-N
MW495.48 g/mol
LogP3.68
Rot. Bonds10

About N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 11562323) has the molecular formula C22H20F3N3O5S and a molecular weight of 495.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID11562323
Molecular FormulaC22H20F3N3O5S
Molecular Weight495.48 g/mol
Exact Mass495.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O5S/c1-31-18-5-3-2-4-14(18)10-27-21(30)17-13-34-20(28-17)11-26-19(29)12-32-15-6-8-16(9-7-15)33-22(23,24)25/h2-9,13H,10-12H2,1H3,(H,26,29)(H,27,30)
InChIKeyONXRWYNMYOXCJX-UHFFFAOYSA-N
XLogP3.68
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 69026353
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 87872776
tert-butyl N-[[4-[(2-methoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 67304205
N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120882
N-[(2-methoxyphenyl)methyl]-2-[(4-methylnonanoylamino)methyl]-1,3-thiazole-4-carboxamide
CID 91476171
N-[1-tert-butyl-1-[2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidin-1-ium-4-yl]carbamate;N-[(2,3-dimethoxyphenyl)methyl]-2-[[(2-naphthalen-2-ylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide;N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 87969685
N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 11554446
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 11562323) is N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is COc1ccccc1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ONXRWYNMYOXCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O5S/c1-31-18-5-3-2-4-14(18)10-27-21(30)17-13-34-20(28-17)11-26-19(29)12-32-15-6-8-16(9-7-15)33-22(23,24)25/h2-9,13H,10-12H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 495.48 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11562323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).