[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

C20H25N3O5S — CID 55451441

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C20H25N3O5S/c1-20(2,3)22-17(24)9-23(4)18(25)11-28-19(26)14-6-5-7-16(8-14)27-10-15-12-29-13-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,24)
InChIKeyKXQNKJLNNJMFDZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.25
Rot. Bonds8

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 55451441) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID55451441
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C20H25N3O5S/c1-20(2,3)22-17(24)9-23(4)18(25)11-28-19(26)14-6-5-7-16(8-14)27-10-15-12-29-13-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,24)
InChIKeyKXQNKJLNNJMFDZ-UHFFFAOYSA-N
XLogP2.25
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate 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

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 31766267
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009280
(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451662
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289508
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86911740
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196523
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55403385

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate (CID 55451441) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is KXQNKJLNNJMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-20(2,3)22-17(24)9-23(4)18(25)11-28-19(26)14-6-5-7-16(8-14)27-10-15-12-29-13-21-15/h5-8,12-13H,9-11H2,1-4H3,(H,22,24).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 419.50 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 55451441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).