5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide

C25H21F3N2O4S — CID 71071530

IUPAC5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3sc(Cc4cccc(C(F)(F)F)c4)nc3C)o2)c1
InChIInChI=1S/C25H21F3N2O4S/c1-15-24(35-22(29-15)12-16-5-3-6-17(11-16)25(26,27)28)30-23(31)21-10-9-20(34-21)14-33-19-8-4-7-18(13-19)32-2/h3-11,13H,12,14H2,1-2H3,(H,30,31)
InChIKeyPLTVVDUVIQRMCS-UHFFFAOYSA-N
MW502.51 g/mol
LogP6.49
Rot. Bonds8

About 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 71071530) has the molecular formula C25H21F3N2O4S and a molecular weight of 502.51 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID71071530
Molecular FormulaC25H21F3N2O4S
Molecular Weight502.51 g/mol
Exact Mass502.12
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3sc(Cc4cccc(C(F)(F)F)c4)nc3C)o2)c1
InChIInChI=1S/C25H21F3N2O4S/c1-15-24(35-22(29-15)12-16-5-3-6-17(11-16)25(26,27)28)30-23(31)21-10-9-20(34-21)14-33-19-8-4-7-18(13-19)32-2/h3-11,13H,12,14H2,1-2H3,(H,30,31)
InChIKeyPLTVVDUVIQRMCS-UHFFFAOYSA-N
XLogP6.49
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 71071620
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19394132
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]thiophene-3-carboxamide
CID 71071188
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35523457
(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 71071745
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412762
3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 71082021
(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
CID 71082020
6-(difluoromethyl)-3-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19412726
methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748102
1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
CID 71071866
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19394169

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide (CID 71071530) is 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)Nc3sc(Cc4cccc(C(F)(F)F)c4)nc3C)o2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is PLTVVDUVIQRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O4S/c1-15-24(35-22(29-15)12-16-5-3-6-17(11-16)25(26,27)28)30-23(31)21-10-9-20(34-21)14-33-19-8-4-7-18(13-19)32-2/h3-11,13H,12,14H2,1-2H3,(H,30,31).
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 71071530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).