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

C23H17FN2O3S — CID 162757070

IUPAC4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(Cc2ccccc2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C23H17FN2O3S/c1-13-22(30-21(25-13)10-14-6-3-2-4-7-14)19-9-5-8-18(26-19)15-12-20(27)16(23(28)29)11-17(15)24/h2-9,11-12,27H,10H2,1H3,(H,28,29)
InChIKeyHIKMJDHOBUXYPX-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.31
Rot. Bonds5

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

4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid (PubChem CID 162757070) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
PubChem CID162757070
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(Cc2ccccc2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C23H17FN2O3S/c1-13-22(30-21(25-13)10-14-6-3-2-4-7-14)19-9-5-8-18(26-19)15-12-20(27)16(23(28)29)11-17(15)24/h2-9,11-12,27H,10H2,1H3,(H,28,29)
InChIKeyHIKMJDHOBUXYPX-UHFFFAOYSA-N
XLogP5.31
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

US20230348450, Example 217
CID 162757010
US20230348450, Example 255
CID 162757035
US20230348450, Example 259
CID 162757046
US20230348450, Example 254
CID 162757098
US20230348450, Example 150
CID 162757135
US20230348450, Example 99
CID 162757141
US20230348450, Example 236
CID 162757167
US20230348450, Example 212
CID 162757191
US20230348450, Example 228
CID 162757200
US20230348450, Example 186
CID 162757201
US20230348450, Example 105
CID 162757207
US20230348450, Example 174
CID 162757208

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid (CID 162757070) is 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid is Cc1nc(Cc2ccccc2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The InChIKey is HIKMJDHOBUXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-13-22(30-21(25-13)10-14-6-3-2-4-7-14)19-9-5-8-18(26-19)15-12-20(27)16(23(28)29)11-17(15)24/h2-9,11-12,27H,10H2,1H3,(H,28,29).
What are the key properties of 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid has a molecular weight of 420.47 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 162757070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).