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

C17H20N2O6S — CID 162650833

IUPAC2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(CC(=O)O)cs1
InChIInChI=1S/C17H20N2O6S/c1-5-19(17-18-11(9-26-17)8-14(20)21)16(22)10-6-12(23-2)15(25-4)13(7-10)24-3/h6-7,9H,5,8H2,1-4H3,(H,20,21)
InChIKeyCWFRJSLUMHDJQX-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.46
Rot. Bonds8

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

2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 162650833) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID162650833
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(CC(=O)O)cs1
InChIInChI=1S/C17H20N2O6S/c1-5-19(17-18-11(9-26-17)8-14(20)21)16(22)10-6-12(23-2)15(25-4)13(7-10)24-3/h6-7,9H,5,8H2,1-4H3,(H,20,21)
InChIKeyCWFRJSLUMHDJQX-UHFFFAOYSA-N
XLogP2.46
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 162650833) is 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CWFRJSLUMHDJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-5-19(17-18-11(9-26-17)8-14(20)21)16(22)10-6-12(23-2)15(25-4)13(7-10)24-3/h6-7,9H,5,8H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 380.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 162650833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).