2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C24H27N3O2S — CID 78817863

IUPAC2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(CN(Cc2csc(CC(=O)Nc3ccccc3C)n2)C2CC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-5-3-4-6-22(17)26-23(28)13-24-25-19(16-30-24)15-27(20-9-10-20)14-18-7-11-21(29-2)12-8-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3,(H,26,28)
InChIKeyDKRDHHBTPUKIFK-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.81
Rot. Bonds9

About 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 78817863) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID78817863
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(CN(Cc2csc(CC(=O)Nc3ccccc3C)n2)C2CC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-5-3-4-6-22(17)26-23(28)13-24-25-19(16-30-24)15-27(20-9-10-20)14-18-7-11-21(29-2)12-8-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3,(H,26,28)
InChIKeyDKRDHHBTPUKIFK-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78826443
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274
2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807365
N-(2-methylphenyl)-2-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78828748
N-benzyl-2-[4-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 17499279
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
2-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78787861
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylpropanoate
CID 25161612
N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 71953049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 78817863) is 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is COc1ccc(CN(Cc2csc(CC(=O)Nc3ccccc3C)n2)C2CC2)cc1.
What is the InChIKey of 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is DKRDHHBTPUKIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-5-3-4-6-22(17)26-23(28)13-24-25-19(16-30-24)15-27(20-9-10-20)14-18-7-11-21(29-2)12-8-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 78817863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).