5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid

C21H15FN2O4S2 — CID 162757085

IUPAC5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid
SMILESCc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)c1
InChIInChI=1S/C21H15FN2O4S2/c1-11-20(30-19(24-11)9-28-18-4-2-3-5-23-18)12-6-17(29-10-12)13-8-16(25)14(21(26)27)7-15(13)22/h2-8,10,25H,9H2,1H3,(H,26,27)
InChIKeyHYVXDSROVOPRRM-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.36
Rot. Bonds6

About 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid

5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid (PubChem CID 162757085) has the molecular formula C21H15FN2O4S2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid
PubChem CID162757085
Molecular FormulaC21H15FN2O4S2
Molecular Weight442.49 g/mol
Exact Mass442.05
IUPAC Name5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid
SMILESCc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)c1
InChIInChI=1S/C21H15FN2O4S2/c1-11-20(30-19(24-11)9-28-18-4-2-3-5-23-18)12-6-17(29-10-12)13-8-16(25)14(21(26)27)7-15(13)22/h2-8,10,25H,9H2,1H3,(H,26,27)
InChIKeyHYVXDSROVOPRRM-UHFFFAOYSA-N
XLogP5.36
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid with MolForge

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Related Compounds

2-(2-(4-(1-(thiophen-2-ylmethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 10204866
US20230348450, Example 217
CID 162757010
US20230348450, Example 204
CID 162757015
US20230348450, Example 140
CID 162757094
US20230348450, Example 219
CID 162757106
US20230348450, Example 133
CID 162757108
US20230348450, Example 1
CID 162757161
US20230348450, Example 218
CID 162757190
US20230348450, Example 228
CID 162757200
US20230348450, Example 164
CID 162757209
US20230348450, Example 98
CID 162757231
US20230348450, Example 163
CID 162757232

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid?
The IUPAC name of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid (CID 162757085) is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid?
The canonical SMILES for 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid is Cc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)c1.
What is the InChIKey of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid?
The InChIKey is HYVXDSROVOPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S2/c1-11-20(30-19(24-11)9-28-18-4-2-3-5-23-18)12-6-17(29-10-12)13-8-16(25)14(21(26)27)7-15(13)22/h2-8,10,25H,9H2,1H3,(H,26,27).
What are the key properties of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid?
5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid has a molecular weight of 442.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid is sourced from PubChem (CID 162757085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).