(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C21H20N2O5S — CID 2121321

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H20N2O5S/c1-26-17-8-15(9-18(10-17)27-2)20(25)22-11-19(24)28-12-16-13-29-21(23-16)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyJRDSJSSLRHXNRF-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.30
Rot. Bonds8

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2121321) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2121321
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H20N2O5S/c1-26-17-8-15(9-18(10-17)27-2)20(25)22-11-19(24)28-12-16-13-29-21(23-16)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyJRDSJSSLRHXNRF-UHFFFAOYSA-N
XLogP3.30
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2121321) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is JRDSJSSLRHXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-26-17-8-15(9-18(10-17)27-2)20(25)22-11-19(24)28-12-16-13-29-21(23-16)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 412.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2121321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).