[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C19H23N3O4S — CID 55327965

IUPAC[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cs1
InChIInChI=1S/C19H23N3O4S/c1-11-6-5-7-12(2)18(11)22-16(23)9-20-19(25)13(3)26-17(24)8-15-10-27-14(4)21-15/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)(H,22,23)
InChIKeyXDRBPJIJLQLISZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.30
Rot. Bonds7

About [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55327965) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID55327965
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cs1
InChIInChI=1S/C19H23N3O4S/c1-11-6-5-7-12(2)18(11)22-16(23)9-20-19(25)13(3)26-17(24)8-15-10-27-14(4)21-15/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)(H,22,23)
InChIKeyXDRBPJIJLQLISZ-UHFFFAOYSA-N
XLogP2.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55419703
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811609
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906056
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 51914010
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 29407800
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424471
[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 29436588
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307468
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 46794980

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55327965) is [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1nc(CC(=O)OC(C)C(=O)NCC(=O)Nc2c(C)cccc2C)cs1.
What is the InChIKey of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is XDRBPJIJLQLISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11-6-5-7-12(2)18(11)22-16(23)9-20-19(25)13(3)26-17(24)8-15-10-27-14(4)21-15/h5-7,10,13H,8-9H2,1-4H3,(H,20,25)(H,22,23).
What are the key properties of [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 389.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55327965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).