3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide

C17H13FN2O2S — CID 140529876

IUPAC3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2O)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c1-9-15(10-5-7-11(18)8-6-10)23-17(20-9)13-4-2-3-12(14(13)21)16(19)22/h2-8,21H,1H3,(H2,19,22)
InChIKeyOMNQPEYEYNYEGP-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.73
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide

3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide (PubChem CID 140529876) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
PubChem CID140529876
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2O)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2S/c1-9-15(10-5-7-11(18)8-6-10)23-17(20-9)13-4-2-3-12(14(13)21)16(19)22/h2-8,21H,1H3,(H2,19,22)
InChIKeyOMNQPEYEYNYEGP-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

Analyze 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide (CID 140529876) is 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide is Cc1nc(-c2cccc(C(N)=O)c2O)sc1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
The InChIKey is OMNQPEYEYNYEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-9-15(10-5-7-11(18)8-6-10)23-17(20-9)13-4-2-3-12(14(13)21)16(19)22/h2-8,21H,1H3,(H2,19,22).
What are the key properties of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-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 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 140529876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).