[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate

C19H22N2O6S — CID 7193346

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C19H22N2O6S/c1-4-25-17(23)9-14-11-28-19(20-14)21-16(22)10-26-18(24)13-5-7-15(8-6-13)27-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,21,22)
InChIKeyPAMKKBOGBSFJQR-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.83
Rot. Bonds9

About [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 7193346) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID7193346
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C19H22N2O6S/c1-4-25-17(23)9-14-11-28-19(20-14)21-16(22)10-26-18(24)13-5-7-15(8-6-13)27-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,21,22)
InChIKeyPAMKKBOGBSFJQR-UHFFFAOYSA-N
XLogP2.83
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate with MolForge

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Related Compounds

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538026
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507572
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate
CID 23831438
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554265
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8860526
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806429
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661263
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 7193346) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate is CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is PAMKKBOGBSFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-25-17(23)9-14-11-28-19(20-14)21-16(22)10-26-18(24)13-5-7-15(8-6-13)27-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 406.46 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 7193346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).