4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide

C22H20F4N2O4S — CID 10005553

IUPAC4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1nc(-c2ccccc2O)cs1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C22H20F4N2O4S/c1-20(2,14-9-12(23)7-8-17(14)30)11-21(32,22(24,25)26)18(31)28-19-27-15(10-33-19)13-5-3-4-6-16(13)29/h3-10,29-30,32H,11H2,1-2H3,(H,27,28,31)
InChIKeyMPWXBPXAQYSSMP-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.96
Rot. Bonds6

About 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide

4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 10005553) has the molecular formula C22H20F4N2O4S and a molecular weight of 484.47 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID10005553
Molecular FormulaC22H20F4N2O4S
Molecular Weight484.47 g/mol
Exact Mass484.11
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCC(C)(CC(O)(C(=O)Nc1nc(-c2ccccc2O)cs1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C22H20F4N2O4S/c1-20(2,14-9-12(23)7-8-17(14)30)11-21(32,22(24,25)26)18(31)28-19-27-15(10-33-19)13-5-3-4-6-16(13)29/h3-10,29-30,32H,11H2,1-2H3,(H,27,28,31)
InChIKeyMPWXBPXAQYSSMP-UHFFFAOYSA-N
XLogP4.96
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 11753938
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
N-[4-(5-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 861981
2-benzyl-N-(3,5-dimethylphenyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanamide
CID 10216725
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide (CID 10005553) is 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide is CC(C)(CC(O)(C(=O)Nc1nc(-c2ccccc2O)cs1)C(F)(F)F)c1cc(F)ccc1O.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is MPWXBPXAQYSSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O4S/c1-20(2,14-9-12(23)7-8-17(14)30)11-21(32,22(24,25)26)18(31)28-19-27-15(10-33-19)13-5-3-4-6-16(13)29/h3-10,29-30,32H,11H2,1-2H3,(H,27,28,31).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide?
4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 484.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 10005553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).