N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide

C20H20N2OS — CID 9343361

IUPACN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-3-7-18(8-4-14)20-22-19(13-24-20)17-9-5-16(6-10-17)11-12-21-15(2)23/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyMKVWCEHWKOCPAU-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.46
Rot. Bonds5

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

N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide (PubChem CID 9343361) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
PubChem CID9343361
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-3-7-18(8-4-14)20-22-19(13-24-20)17-9-5-16(6-10-17)11-12-21-15(2)23/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyMKVWCEHWKOCPAU-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 43034291
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
CID 18127750
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide (CID 9343361) is N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
The InChIKey is MKVWCEHWKOCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-3-7-18(8-4-14)20-22-19(13-24-20)17-9-5-16(6-10-17)11-12-21-15(2)23/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 9343361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).