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

C21H17F2NO5S — CID 58541234

IUPAC2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C21H17F2NO5S/c1-28-18-4-2-3-16(23)21(18)29-17-6-5-13(22)7-12(17)8-15(25)10-19-24-14(11-30-19)9-20(26)27/h2-7,11H,8-10H2,1H3,(H,26,27)
InChIKeyNVKPUGMMVXNLLC-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.20
Rot. Bonds9

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

2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 58541234) has the molecular formula C21H17F2NO5S and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID58541234
Molecular FormulaC21H17F2NO5S
Molecular Weight433.43 g/mol
Exact Mass433.08
IUPAC Name2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C21H17F2NO5S/c1-28-18-4-2-3-16(23)21(18)29-17-6-5-13(22)7-12(17)8-15(25)10-19-24-14(11-30-19)9-20(26)27/h2-7,11H,8-10H2,1H3,(H,26,27)
InChIKeyNVKPUGMMVXNLLC-UHFFFAOYSA-N
XLogP4.20
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

4-Thiazoleacetic acid, 2-(2-(3-methoxy-4-(1-methylethoxy)phenyl)ethenyl)-
CID 6447749
4-Thiazoleacetic acid, 2-(2-(4-methoxy-3-(1-methylethoxy)phenyl)ethenyl)-
CID 6447750
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
8-methoxy-3-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2H-chromen-2-one
CID 2235857
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-8-methoxy-2H-chromen-2-one
CID 29136178
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-8-methoxy-2H-chromen-2-one
CID 29139975
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-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22647457

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid (CID 58541234) is 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid is COc1cccc(F)c1Oc1ccc(F)cc1CC(=O)Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NVKPUGMMVXNLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO5S/c1-28-18-4-2-3-16(23)21(18)29-17-6-5-13(22)7-12(17)8-15(25)10-19-24-14(11-30-19)9-20(26)27/h2-7,11H,8-10H2,1H3,(H,26,27).
What are the key properties of 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 433.43 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 58541234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).