N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

C24H19F3N2O4S — CID 46066056

IUPACN-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O4S/c1-31-21-11-16(23-29-19(14-34-23)22(30)28-12-18-3-2-10-32-18)6-9-20(21)33-13-15-4-7-17(8-5-15)24(25,26)27/h2-11,14H,12-13H2,1H3,(H,28,30)
InChIKeyZIDMDYDTXSTDMO-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.94
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46066056) has the molecular formula C24H19F3N2O4S and a molecular weight of 488.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46066056
Molecular FormulaC24H19F3N2O4S
Molecular Weight488.49 g/mol
Exact Mass488.10
IUPAC NameN-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19F3N2O4S/c1-31-21-11-16(23-29-19(14-34-23)22(30)28-12-18-3-2-10-32-18)6-9-20(21)33-13-15-4-7-17(8-5-15)24(25,26)27/h2-11,14H,12-13H2,1H3,(H,28,30)
InChIKeyZIDMDYDTXSTDMO-UHFFFAOYSA-N
XLogP5.94
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060
2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865996
2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165058
2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46165052
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46066297
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065753
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46066056) is N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZIDMDYDTXSTDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4S/c1-31-21-11-16(23-29-19(14-34-23)22(30)28-12-18-3-2-10-32-18)6-9-20(21)33-13-15-4-7-17(8-5-15)24(25,26)27/h2-11,14H,12-13H2,1H3,(H,28,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).