4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide

C21H22N2O2S — CID 6624229

IUPAC4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1
InChIInChI=1S/C21H22N2O2S/c1-14-5-4-6-17(13-14)21-23-15(2)19(26-21)11-12-22-20(24)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyXKGLLEYTKWSLSJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.41
Rot. Bonds6

About 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide

4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 6624229) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID6624229
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1
InChIInChI=1S/C21H22N2O2S/c1-14-5-4-6-17(13-14)21-23-15(2)19(26-21)11-12-22-20(24)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyXKGLLEYTKWSLSJ-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (CID 6624229) is 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is COc1ccc(C(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is XKGLLEYTKWSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-5-4-6-17(13-14)21-23-15(2)19(26-21)11-12-22-20(24)16-7-9-18(25-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 6624229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).