5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

C21H15FN4O4S — CID 162757380

IUPAC5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C21H15FN4O4S/c1-11-19(31-18(25-11)10-30-21-23-6-3-7-24-21)16-5-2-4-15(26-16)12-9-17(27)13(20(28)29)8-14(12)22/h2-9,27H,10H2,1H3,(H,28,29)
InChIKeyZTBUTLRMHLIBPA-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.09
Rot. Bonds6

About 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (PubChem CID 162757380) has the molecular formula C21H15FN4O4S and a molecular weight of 438.44 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
PubChem CID162757380
Molecular FormulaC21H15FN4O4S
Molecular Weight438.44 g/mol
Exact Mass438.08
IUPAC Name5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C21H15FN4O4S/c1-11-19(31-18(25-11)10-30-21-23-6-3-7-24-21)16-5-2-4-15(26-16)12-9-17(27)13(20(28)29)8-14(12)22/h2-9,27H,10H2,1H3,(H,28,29)
InChIKeyZTBUTLRMHLIBPA-UHFFFAOYSA-N
XLogP4.09
TPSA118.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230348450, Example 217
CID 162757010
US20230348450, Example 137
CID 162757055
US20230348450, Example 133
CID 162757108
US20230348450, Example 149
CID 162757156
US20230348450, Example 192
CID 162757159
US20230348450, Example 164
CID 162757209
US20230348450, Example 132
CID 162757216
US20230348450, Example 54
CID 162757266
US20230348450, Example 144
CID 162757298
US20230348450, Example 155
CID 162757350
US20230348450, Example 83
CID 162757352
US20230348450, Example 96
CID 162757424

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (CID 162757380) is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is Cc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The InChIKey is ZTBUTLRMHLIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S/c1-11-19(31-18(25-11)10-30-21-23-6-3-7-24-21)16-5-2-4-15(26-16)12-9-17(27)13(20(28)29)8-14(12)22/h2-9,27H,10H2,1H3,(H,28,29).
What are the key properties of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid has a molecular weight of 438.44 g/mol, XLogP of 4.09, 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-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 162757380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).