ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

C19H24N2O6S — CID 162646925

IUPACethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)C(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H24N2O6S/c1-6-21(19-20-13(11-28-19)10-16(22)27-7-2)18(23)12-8-14(24-3)17(26-5)15(9-12)25-4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyZSVHQIDPLDGOAH-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.94
Rot. Bonds9

About ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 162646925) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID162646925
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Nameethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)C(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H24N2O6S/c1-6-21(19-20-13(11-28-19)10-16(22)27-7-2)18(23)12-8-14(24-3)17(26-5)15(9-12)25-4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyZSVHQIDPLDGOAH-UHFFFAOYSA-N
XLogP2.94
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 162646925) is ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(CC)C(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZSVHQIDPLDGOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-6-21(19-20-13(11-28-19)10-16(22)27-7-2)18(23)12-8-14(24-3)17(26-5)15(9-12)25-4/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 408.48 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 162646925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).