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

C21H20N2O4S — CID 4787088

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H20N2O4S/c1-2-26-18-11-7-6-10-17(18)20(25)22-13-19(24)27-14-16-12-23-21(28-16)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H,22,25)
InChIKeyKXOCYSNPIVLQHX-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.68
Rot. Bonds8

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

(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 4787088) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID4787088
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C21H20N2O4S/c1-2-26-18-11-7-6-10-17(18)20(25)22-13-19(24)27-14-16-12-23-21(28-16)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H,22,25)
InChIKeyKXOCYSNPIVLQHX-UHFFFAOYSA-N
XLogP3.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 34415892
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 25463039
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 4787088) is (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1cnc(-c2ccccc2)s1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is KXOCYSNPIVLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-18-11-7-6-10-17(18)20(25)22-13-19(24)27-14-16-12-23-21(28-16)15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H,22,25).
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 396.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 4787088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).