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

C17H13FN2O3S — CID 162757046

IUPAC4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2cccc(-c3cc(O)c(C(=O)O)cc3F)n2)s1
InChIInChI=1S/C17H13FN2O3S/c1-8-16(24-9(2)19-8)14-5-3-4-13(20-14)10-7-15(21)11(17(22)23)6-12(10)18/h3-7,21H,1-2H3,(H,22,23)
InChIKeyFBJFEIQLNNWSIK-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.03
Rot. Bonds3

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

4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid (PubChem CID 162757046) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
PubChem CID162757046
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2cccc(-c3cc(O)c(C(=O)O)cc3F)n2)s1
InChIInChI=1S/C17H13FN2O3S/c1-8-16(24-9(2)19-8)14-5-3-4-13(20-14)10-7-15(21)11(17(22)23)6-12(10)18/h3-7,21H,1-2H3,(H,22,23)
InChIKeyFBJFEIQLNNWSIK-UHFFFAOYSA-N
XLogP4.03
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

US20230348450, Example 10
CID 162757345
US20230348450, Example 5
CID 162757366
US20230348450, Example 217
CID 162757010
US20230348450, Example 255
CID 162757035
US20230348450, Example 162
CID 162757070
US20230348450, Example 254
CID 162757098
US20230348450, Example 118
CID 162757100
US20230348450, Example 150
CID 162757135
US20230348450, Example 99
CID 162757141
US20230348450, Example 236
CID 162757167
US20230348450, Example 124
CID 162757171
US20230348450, Example 212
CID 162757191

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid (CID 162757046) is 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid is Cc1nc(C)c(-c2cccc(-c3cc(O)c(C(=O)O)cc3F)n2)s1.
What is the InChIKey of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
The InChIKey is FBJFEIQLNNWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-8-16(24-9(2)19-8)14-5-3-4-13(20-14)10-7-15(21)11(17(22)23)6-12(10)18/h3-7,21H,1-2H3,(H,22,23).
What are the key properties of 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid?
4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 162757046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).