N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide

C21H13F5N2O3S2 — CID 10006164

IUPACN-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(OCc3csc(-c4ccc(F)cc4F)n3)cccc2c1)C(F)(F)F
InChIInChI=1S/C21H13F5N2O3S2/c22-13-4-6-17(18(23)9-13)20-27-15(11-32-20)10-31-19-3-1-2-12-8-14(5-7-16(12)19)28-33(29,30)21(24,25)26/h1-9,11,28H,10H2
InChIKeyIWPPUGLHTCIPRA-UHFFFAOYSA-N
MW500.47 g/mol
LogP6.08
Rot. Bonds6

About N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 10006164) has the molecular formula C21H13F5N2O3S2 and a molecular weight of 500.47 g/mol. Its IUPAC name is N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID10006164
Molecular FormulaC21H13F5N2O3S2
Molecular Weight500.47 g/mol
Exact Mass500.03
IUPAC NameN-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(OCc3csc(-c4ccc(F)cc4F)n3)cccc2c1)C(F)(F)F
InChIInChI=1S/C21H13F5N2O3S2/c22-13-4-6-17(18(23)9-13)20-27-15(11-32-20)10-31-19-3-1-2-12-8-14(5-7-16(12)19)28-33(29,30)21(24,25)26/h1-9,11,28H,10H2
InChIKeyIWPPUGLHTCIPRA-UHFFFAOYSA-N
XLogP6.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.47
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 10051418
N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 14479967
1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide
CID 22337866
2-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methyl]propanedioic acid
CID 68655394
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
2-(2,3-dimethoxyphenyl)-4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 52618910
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
4-[(4-bromo-2-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 27352237
2-(2,3-dimethoxyphenyl)-4-[[4-nitro-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 60586449
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 10006164) is N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc2c(OCc3csc(-c4ccc(F)cc4F)n3)cccc2c1)C(F)(F)F.
What is the InChIKey of N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is IWPPUGLHTCIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N2O3S2/c22-13-4-6-17(18(23)9-13)20-27-15(11-32-20)10-31-19-3-1-2-12-8-14(5-7-16(12)19)28-33(29,30)21(24,25)26/h1-9,11,28H,10H2.
What are the key properties of N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 500.47 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 10006164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).