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

C22H24N2OS — CID 7502972

IUPAC3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)c3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C22H24N2OS/c1-14-6-5-7-19(12-14)22-24-17(4)20(26-22)10-11-23-21(25)18-9-8-15(2)16(3)13-18/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyUMFLCDBAVYWJKN-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.02
Rot. Bonds5

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

3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7502972) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7502972
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)c3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C22H24N2OS/c1-14-6-5-7-19(12-14)22-24-17(4)20(26-22)10-11-23-21(25)18-9-8-15(2)16(3)13-18/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyUMFLCDBAVYWJKN-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7502958
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329629
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329641
3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222751
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7207758
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (CID 7502972) is 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is Cc1cccc(-c2nc(C)c(CCNC(=O)c3ccc(C)c(C)c3)s2)c1.
What is the InChIKey of 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is UMFLCDBAVYWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14-6-5-7-19(12-14)22-24-17(4)20(26-22)10-11-23-21(25)18-9-8-15(2)16(3)13-18/h5-9,12-13H,10-11H2,1-4H3,(H,23,25).
What are the key properties of 3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 364.51 g/mol, XLogP of 5.02, 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-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7502972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).