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

C20H18N2O4S — CID 2413738

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O4S/c1-25-17-10-6-5-9-16(17)19(24)21-11-18(23)26-12-15-13-27-20(22-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyJSWPYVTYHYPEFK-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.29
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 2413738) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID2413738
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O4S/c1-25-17-10-6-5-9-16(17)19(24)21-11-18(23)26-12-15-13-27-20(22-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyJSWPYVTYHYPEFK-UHFFFAOYSA-N
XLogP3.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16245966
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 4992069
2-methoxy-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)benzamide
CID 7287525
2-(4-Chlorophenyl)-4-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-1,3-thiazole
CID 11200377
2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 16189568
[2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16279412
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methyl-phenyl}-pyrrolidin-1-yl-methanone
CID 44402481
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
CID 2393742
3-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119117

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate (CID 2413738) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is JSWPYVTYHYPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-17-10-6-5-9-16(17)19(24)21-11-18(23)26-12-15-13-27-20(22-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 382.44 g/mol, XLogP of 3.29, 7 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-4-yl)methyl 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2413738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).