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

C21H21ClN2OS — CID 55594311

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H21ClN2OS/c1-3-24(13-16-5-4-6-18(22)11-16)20(25)12-19-14-26-21(23-19)17-9-7-15(2)8-10-17/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNQHNYTDPJVAFSS-UHFFFAOYSA-N
MW384.93 g/mol
LogP5.36
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55594311) has the molecular formula C21H21ClN2OS and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55594311
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H21ClN2OS/c1-3-24(13-16-5-4-6-18(22)11-16)20(25)12-19-14-26-21(23-19)17-9-7-15(2)8-10-17/h4-11,14H,3,12-13H2,1-2H3
InChIKeyNQHNYTDPJVAFSS-UHFFFAOYSA-N
XLogP5.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.93
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135892380
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55387721
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 18189786
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 55594311) is N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NQHNYTDPJVAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c1-3-24(13-16-5-4-6-18(22)11-16)20(25)12-19-14-26-21(23-19)17-9-7-15(2)8-10-17/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 384.93 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55594311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).