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

C20H14FN3O4S2 — CID 162757232

IUPAC5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
SMILESCc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H14FN3O4S2/c1-10-18(30-17(23-10)8-28-16-4-2-3-5-22-16)14-9-29-19(24-14)11-7-15(25)12(20(26)27)6-13(11)21/h2-7,9,25H,8H2,1H3,(H,26,27)
InChIKeyMXYXAKXIXBFNKT-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.76
Rot. Bonds6

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

5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid (PubChem CID 162757232) has the molecular formula C20H14FN3O4S2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
PubChem CID162757232
Molecular FormulaC20H14FN3O4S2
Molecular Weight443.48 g/mol
Exact Mass443.04
IUPAC Name5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
SMILESCc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H14FN3O4S2/c1-10-18(30-17(23-10)8-28-16-4-2-3-5-22-16)14-9-29-19(24-14)11-7-15(25)12(20(26)27)6-13(11)21/h2-7,9,25H,8H2,1H3,(H,26,27)
InChIKeyMXYXAKXIXBFNKT-UHFFFAOYSA-N
XLogP4.76
TPSA105.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-1,3-thiazol-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]-1,3-thiazol-2-yl]benzoic acid (CID 162757232) is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-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]-1,3-thiazol-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]-1,3-thiazol-2-yl]benzoic acid is Cc1nc(COc2ccccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is MXYXAKXIXBFNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4S2/c1-10-18(30-17(23-10)8-28-16-4-2-3-5-22-16)14-9-29-19(24-14)11-7-15(25)12(20(26)27)6-13(11)21/h2-7,9,25H,8H2,1H3,(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]-1,3-thiazol-2-yl]benzoic acid?
5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 443.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 162757232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).