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

C21H20N2O4S — CID 60620637

IUPACethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Cc3ccccc3)ccc2O)n1
InChIInChI=1S/C21H20N2O4S/c1-2-27-19(25)12-16-13-28-21(22-16)23-20(26)17-11-15(8-9-18(17)24)10-14-6-4-3-5-7-14/h3-9,11,13,24H,2,10,12H2,1H3,(H,22,23,26)
InChIKeyMZEUGQUGNBNIAU-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.80
Rot. Bonds7

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

ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 60620637) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID60620637
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Nameethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(Cc3ccccc3)ccc2O)n1
InChIInChI=1S/C21H20N2O4S/c1-2-27-19(25)12-16-13-28-21(22-16)23-20(26)17-11-15(8-9-18(17)24)10-14-6-4-3-5-7-14/h3-9,11,13,24H,2,10,12H2,1H3,(H,22,23,26)
InChIKeyMZEUGQUGNBNIAU-UHFFFAOYSA-N
XLogP3.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 60620637) is ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(Cc3ccccc3)ccc2O)n1.
What is the InChIKey of ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MZEUGQUGNBNIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-27-19(25)12-16-13-28-21(22-16)23-20(26)17-11-15(8-9-18(17)24)10-14-6-4-3-5-7-14/h3-9,11,13,24H,2,10,12H2,1H3,(H,22,23,26).
What are the key properties of ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 396.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 60620637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).