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

C24H29N3O2S — CID 112796951

IUPAC2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(NCc2csc(CC(=O)Nc3ccc(C)cc3)n2)C(C)C)cc1
InChIInChI=1S/C24H29N3O2S/c1-16(2)24(18-7-11-21(29-4)12-8-18)25-14-20-15-30-23(27-20)13-22(28)26-19-9-5-17(3)6-10-19/h5-12,15-16,24-25H,13-14H2,1-4H3,(H,26,28)
InChIKeyWEEPUUJSHJVJBV-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.13
Rot. Bonds9

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

2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 112796951) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID112796951
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(NCc2csc(CC(=O)Nc3ccc(C)cc3)n2)C(C)C)cc1
InChIInChI=1S/C24H29N3O2S/c1-16(2)24(18-7-11-21(29-4)12-8-18)25-14-20-15-30-23(27-20)13-22(28)26-19-9-5-17(3)6-10-19/h5-12,15-16,24-25H,13-14H2,1-4H3,(H,26,28)
InChIKeyWEEPUUJSHJVJBV-UHFFFAOYSA-N
XLogP5.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
N-(4-methylphenyl)-2-[4-[(1-naphthalen-1-ylethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 85000604
2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
2-[4-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 41105532
2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 112783626
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509354
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
2-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8780612
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-phenylbutanoate
CID 8758822
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 112796951) is 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is COc1ccc(C(NCc2csc(CC(=O)Nc3ccc(C)cc3)n2)C(C)C)cc1.
What is the InChIKey of 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WEEPUUJSHJVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-16(2)24(18-7-11-21(29-4)12-8-18)25-14-20-15-30-23(27-20)13-22(28)26-19-9-5-17(3)6-10-19/h5-12,15-16,24-25H,13-14H2,1-4H3,(H,26,28).
What are the key properties of 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 112796951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).