3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H16N2O2S — CID 44572246

IUPAC3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3ccccc3C)c2)n1
InChIInChI=1S/C18H16N2O2S/c1-12-6-3-4-9-16(12)22-15-8-5-7-14(10-15)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyVZYOYZCGXGQRIZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.80
Rot. Bonds4

About 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44572246) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44572246
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3ccccc3C)c2)n1
InChIInChI=1S/C18H16N2O2S/c1-12-6-3-4-9-16(12)22-15-8-5-7-14(10-15)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyVZYOYZCGXGQRIZ-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44572246) is 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(Oc3ccccc3C)c2)n1.
What is the InChIKey of 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VZYOYZCGXGQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-6-3-4-9-16(12)22-15-8-5-7-14(10-15)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44572246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).