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

C23H27N3OS — CID 78787788

IUPAC2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-4-18-7-9-19(10-8-18)14-26(3)15-21-16-28-23(25-21)13-22(27)24-20-11-5-17(2)6-12-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyLKSBEJYISWFKIC-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.83
Rot. Bonds8

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

2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 78787788) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID78787788
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-4-18-7-9-19(10-8-18)14-26(3)15-21-16-28-23(25-21)13-22(27)24-20-11-5-17(2)6-12-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyLKSBEJYISWFKIC-UHFFFAOYSA-N
XLogP4.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78788127
2-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8780612
N-(4-methylphenyl)-2-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78845857
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9169453
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496598
N-(4-methylphenyl)-2-[4-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 9036017
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
ethyl 2-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
CID 99145716
2-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78826317

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 78787788) is 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is CCc1ccc(CN(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is LKSBEJYISWFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-4-18-7-9-19(10-8-18)14-26(3)15-21-16-28-23(25-21)13-22(27)24-20-11-5-17(2)6-12-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 393.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 78787788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).