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

C17H18N2O6S — CID 7861871

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C17H18N2O6S/c1-3-24-15(21)8-12-10-26-17(18-12)19-14(20)9-25-16(22)11-4-6-13(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyCSMKRAVEJNVPDZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.05
Rot. Bonds8

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

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 7861871) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID7861871
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C17H18N2O6S/c1-3-24-15(21)8-12-10-26-17(18-12)19-14(20)9-25-16(22)11-4-6-13(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyCSMKRAVEJNVPDZ-UHFFFAOYSA-N
XLogP2.05
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate (CID 7861871) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate is CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is CSMKRAVEJNVPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-3-24-15(21)8-12-10-26-17(18-12)19-14(20)9-25-16(22)11-4-6-13(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 378.41 g/mol, XLogP of 2.05, 8 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-methoxybenzoate is sourced from PubChem (CID 7861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).