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

C23H17F3N2O3S — CID 42866415

IUPACN-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-3-1-6-15(18)13-31-20-10-4-2-8-17(20)22-28-19(14-32-22)21(29)27-12-16-7-5-11-30-16/h1-11,14H,12-13H2,(H,27,29)
InChIKeySWZDLHUZMMNPBQ-UHFFFAOYSA-N
MW458.46 g/mol
LogP5.93
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 42866415) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID42866415
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-3-1-6-15(18)13-31-20-10-4-2-8-17(20)22-28-19(14-32-22)21(29)27-12-16-7-5-11-30-16/h1-11,14H,12-13H2,(H,27,29)
InChIKeySWZDLHUZMMNPBQ-UHFFFAOYSA-N
XLogP5.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067257
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865996
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866141
N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067163
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 42866415) is N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SWZDLHUZMMNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c24-23(25,26)18-9-3-1-6-15(18)13-31-20-10-4-2-8-17(20)22-28-19(14-32-22)21(29)27-12-16-7-5-11-30-16/h1-11,14H,12-13H2,(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).