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

C19H13FN4O4S2 — CID 162757055

IUPAC5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
SMILESCc1nc(COc2ncccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C19H13FN4O4S2/c1-9-16(30-15(23-9)7-28-19-21-3-2-4-22-19)13-8-29-17(24-13)10-6-14(25)11(18(26)27)5-12(10)20/h2-6,8,25H,7H2,1H3,(H,26,27)
InChIKeyBMNUUCQOUSDWOR-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.15
Rot. Bonds6

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

5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid (PubChem CID 162757055) has the molecular formula C19H13FN4O4S2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-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-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
PubChem CID162757055
Molecular FormulaC19H13FN4O4S2
Molecular Weight444.47 g/mol
Exact Mass444.04
IUPAC Name5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid
SMILESCc1nc(COc2ncccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C19H13FN4O4S2/c1-9-16(30-15(23-9)7-28-19-21-3-2-4-22-19)13-8-29-17(24-13)10-6-14(25)11(18(26)27)5-12(10)20/h2-6,8,25H,7H2,1H3,(H,26,27)
InChIKeyBMNUUCQOUSDWOR-UHFFFAOYSA-N
XLogP4.15
TPSA118.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]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 204
CID 162757015
US20230348450, Example 140
CID 162757094
US20230348450, Example 118
CID 162757100
US20230348450, Example 133
CID 162757108
US20230348450, Example 149
CID 162757156
US20230348450, Example 192
CID 162757159
US20230348450, Example 228
CID 162757200
US20230348450, Example 132
CID 162757216
US20230348450, Example 163
CID 162757232
US20230348450, Example 181
CID 162757258
US20230348450, Example 144
CID 162757298
US20230348450, Example 155
CID 162757350

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-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-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid (CID 162757055) is 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-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-(pyrimidin-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-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid is Cc1nc(COc2ncccn2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is BMNUUCQOUSDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4S2/c1-9-16(30-15(23-9)7-28-19-21-3-2-4-22-19)13-8-29-17(24-13)10-6-14(25)11(18(26)27)5-12(10)20/h2-6,8,25H,7H2,1H3,(H,26,27).
What are the key properties of 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid?
5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 444.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 162757055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).