5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol

C28H24F6N2O3S — CID 123213926

IUPAC5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol
SMILESCCN(c1ccccc1)c1nc(O)c(Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)s1
InChIInChI=1S/C28H24F6N2O3S/c1-3-36(20-7-5-4-6-8-20)26-35-25(37)24(40-26)14-17-9-12-22(23(13-17)38-2)39-16-18-10-11-19(27(29,30)31)15-21(18)28(32,33)34/h4-13,15,37H,3,14,16H2,1-2H3
InChIKeyVJNNKSLBHSPRTD-UHFFFAOYSA-N
MW582.57 g/mol
LogP8.22
Rot. Bonds9

About 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol (PubChem CID 123213926) has the molecular formula C28H24F6N2O3S and a molecular weight of 582.57 g/mol. Its IUPAC name is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol
PubChem CID123213926
Molecular FormulaC28H24F6N2O3S
Molecular Weight582.57 g/mol
Exact Mass582.14
IUPAC Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol
SMILESCCN(c1ccccc1)c1nc(O)c(Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)s1
InChIInChI=1S/C28H24F6N2O3S/c1-3-36(20-7-5-4-6-8-20)26-35-25(37)24(40-26)14-17-9-12-22(23(13-17)38-2)39-16-18-10-11-19(27(29,30)31)15-21(18)28(32,33)34/h4-13,15,37H,3,14,16H2,1-2H3
InChIKeyVJNNKSLBHSPRTD-UHFFFAOYSA-N
XLogP8.22
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.57
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-ol
CID 123615375
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol
CID 123783917
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
CID 123566242
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole;methanol
CID 143222465
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-methyl-N'-phenylprop-2-enehydrazide
CID 72813232
methyl (Z)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-fluoroprop-2-enoate
CID 151454507
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-phenylpiperidin-1-yl)-1,3-thiazol-4-one
CID 163959824
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(2-phenylethylimino)-1,3-thiazolidin-4-one
CID 162603581
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-methyl-N-methylsulfonylpropanamide
CID 143085852
5-[1-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 163641528
3-[3-methoxy-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 22728020
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-5-methyl-2-piperazin-1-yl-1,3-thiazol-4-one
CID 163922474

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol?
The IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol (CID 123213926) is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol?
The canonical SMILES for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol is CCN(c1ccccc1)c1nc(O)c(Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)s1.
What is the InChIKey of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol?
The InChIKey is VJNNKSLBHSPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N2O3S/c1-3-36(20-7-5-4-6-8-20)26-35-25(37)24(40-26)14-17-9-12-22(23(13-17)38-2)39-16-18-10-11-19(27(29,30)31)15-21(18)28(32,33)34/h4-13,15,37H,3,14,16H2,1-2H3.
What are the key properties of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol?
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol has a molecular weight of 582.57 g/mol, XLogP of 8.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol is sourced from PubChem (CID 123213926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).