5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid

C24H21F2NO6S — CID 58541397

IUPAC5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESCOc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)CCC(=O)O)cs1
InChIInChI=1S/C24H21F2NO6S/c1-32-21-4-2-3-19(26)24(21)33-20-7-5-15(25)9-14(20)10-18(29)12-22-27-16(13-34-22)11-17(28)6-8-23(30)31/h2-5,7,9,13H,6,8,10-12H2,1H3,(H,30,31)
InChIKeyKYDBJONVYUCPHF-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.55
Rot. Bonds12

About 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid

5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid (PubChem CID 58541397) has the molecular formula C24H21F2NO6S and a molecular weight of 489.50 g/mol. Its IUPAC name is 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid
PubChem CID58541397
Molecular FormulaC24H21F2NO6S
Molecular Weight489.50 g/mol
Exact Mass489.11
IUPAC Name5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESCOc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)CCC(=O)O)cs1
InChIInChI=1S/C24H21F2NO6S/c1-32-21-4-2-3-19(26)24(21)33-20-7-5-15(25)9-14(20)10-18(29)12-22-27-16(13-34-22)11-17(28)6-8-23(30)31/h2-5,7,9,13H,6,8,10-12H2,1H3,(H,30,31)
InChIKeyKYDBJONVYUCPHF-UHFFFAOYSA-N
XLogP4.55
TPSA102.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Thiazole-4-acetic acid, 2-(4-(allyloxy)-3-methoxystyryl)-
CID 6447751
4-Thiazoleacetic acid, 2-(2-(4-methoxy-3-(2-propenyloxy)phenyl)ethenyl)-
CID 6447752
Thiazole-4-acetic acid, 2-((3-methoxy-4-propoxy)styryl)-
CID 6447753
Thiazole-4-acetic acid, 2-((4-methoxy-3-propoxy)styryl)-
CID 6447754
Methyl (+/-)-3[4-(trifluoromethyl)thiazol-2-yl]-4-(4-benzyloxyphenyl)butanoate
CID 20775667
4-(4-Phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoic acid
CID 22496020
2-Ethoxy-3-[3-fluoro-4-[3-(2-phenyl-1,3-thiazol-4-yl)propoxy]phenyl]propanoic acid
CID 22647522
2-Ethoxy-3-[3-fluoro-4-[2-(2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]propanoic acid
CID 22647626
2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58541133
2-[2-[3-[2-(2-Fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541135
2-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541151
Methyl 6-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-oxohexanoate
CID 58541152

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The IUPAC name of 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid (CID 58541397) is 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid.
What is the SMILES notation for 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The canonical SMILES for 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid is COc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)CCC(=O)O)cs1.
What is the InChIKey of 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The InChIKey is KYDBJONVYUCPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO6S/c1-32-21-4-2-3-19(26)24(21)33-20-7-5-15(25)9-14(20)10-18(29)12-22-27-16(13-34-22)11-17(28)6-8-23(30)31/h2-5,7,9,13H,6,8,10-12H2,1H3,(H,30,31).
What are the key properties of 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid?
5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid has a molecular weight of 489.50 g/mol, XLogP of 4.55, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid is sourced from PubChem (CID 58541397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).