4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid

C22H16FN3O4S — CID 162757434

IUPAC4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C22H16FN3O4S/c1-12-21(31-20(25-12)11-30-19-8-6-14(23)10-24-19)17-4-2-3-16(26-17)13-5-7-15(22(28)29)18(27)9-13/h2-10,27H,11H2,1H3,(H,28,29)
InChIKeyKZXBBCJHXFMKRI-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.70
Rot. Bonds6

About 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid

4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid (PubChem CID 162757434) has the molecular formula C22H16FN3O4S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid
PubChem CID162757434
Molecular FormulaC22H16FN3O4S
Molecular Weight437.45 g/mol
Exact Mass437.08
IUPAC Name4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C22H16FN3O4S/c1-12-21(31-20(25-12)11-30-19-8-6-14(23)10-24-19)17-4-2-3-16(26-17)13-5-7-15(22(28)29)18(27)9-13/h2-10,27H,11H2,1H3,(H,28,29)
InChIKeyKZXBBCJHXFMKRI-UHFFFAOYSA-N
XLogP4.70
TPSA105.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid with MolForge

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Related Compounds

US20230348450, Example 217
CID 162757010
US20230348450, Example 204
CID 162757015
US20230348450, Example 146
CID 162757085
US20230348450, Example 140
CID 162757094
US20230348450, Example 219
CID 162757106
US20230348450, Example 99
CID 162757141
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 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid (CID 162757434) is 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid is Cc1nc(COc2ccc(F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)n1.
What is the InChIKey of 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid?
The InChIKey is KZXBBCJHXFMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c1-12-21(31-20(25-12)11-30-19-8-6-14(23)10-24-19)17-4-2-3-16(26-17)13-5-7-15(22(28)29)18(27)9-13/h2-10,27H,11H2,1H3,(H,28,29).
What are the key properties of 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid?
4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid has a molecular weight of 437.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162757434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).