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

C20H20N2OS — CID 7222744

IUPAC3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N2OS/c1-14-7-6-10-17(13-14)19(23)21-12-11-18-15(2)22-20(24-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyCYTVYXUXLNMCMU-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.40
Rot. Bonds5

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

3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 7222744) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID7222744
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N2OS/c1-14-7-6-10-17(13-14)19(23)21-12-11-18-15(2)22-20(24-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyCYTVYXUXLNMCMU-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 7222744) is 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is CYTVYXUXLNMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-7-6-10-17(13-14)19(23)21-12-11-18-15(2)22-20(24-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 336.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 7222744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).