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

C21H22N2OS — CID 7287435

IUPAC3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-14-4-7-17(8-5-14)21-23-19(13-25-21)10-11-22-20(24)18-9-6-15(2)16(3)12-18/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeySEDIHLJROYHGKX-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.71
Rot. Bonds5

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

3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287435) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287435
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-14-4-7-17(8-5-14)21-23-19(13-25-21)10-11-22-20(24)18-9-6-15(2)16(3)12-18/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)
InChIKeySEDIHLJROYHGKX-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-nitrobenzamide
CID 35341875
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287435) is 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is Cc1ccc(-c2nc(CCNC(=O)c3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is SEDIHLJROYHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-14-4-7-17(8-5-14)21-23-19(13-25-21)10-11-22-20(24)18-9-6-15(2)16(3)12-18/h4-9,12-13H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).