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

C18H16N2O2S — CID 44572248

IUPAC3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-6-8-15(9-7-12)22-16-5-3-4-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyPXEBUBYIZSSBSA-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.80
Rot. Bonds4

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

3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44572248) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44572248
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-6-8-15(9-7-12)22-16-5-3-4-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyPXEBUBYIZSSBSA-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-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44572248) is 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PXEBUBYIZSSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-6-8-15(9-7-12)22-16-5-3-4-14(10-16)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-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(4-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-(4-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44572248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).