5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide

C17H13FN2O2S — CID 31264505

IUPAC5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCc1cc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)ccc1F
InChIInChI=1S/C17H13FN2O2S/c1-9-6-11(2-4-13(9)18)17-20-14(8-23-17)10-3-5-15(21)12(7-10)16(19)22/h2-8,21H,1H3,(H2,19,22)
InChIKeyJDIBFWCUHNLXFC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.73
Rot. Bonds3

About 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 31264505) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID31264505
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCc1cc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)ccc1F
InChIInChI=1S/C17H13FN2O2S/c1-9-6-11(2-4-13(9)18)17-20-14(8-23-17)10-3-5-15(21)12(7-10)16(19)22/h2-8,21H,1H3,(H2,19,22)
InChIKeyJDIBFWCUHNLXFC-UHFFFAOYSA-N
XLogP3.73
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 31264505) is 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide is Cc1cc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is JDIBFWCUHNLXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-9-6-11(2-4-13(9)18)17-20-14(8-23-17)10-3-5-15(21)12(7-10)16(19)22/h2-8,21H,1H3,(H2,19,22).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 31264505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).