benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate

C21H19N3O4S — CID 18282128

IUPACbenzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H19N3O4S/c25-18(22-12-19(26)28-13-15-7-3-1-4-8-15)11-17-14-29-21(23-17)24-20(27)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H,23,24,27)
InChIKeyJQAGIURSVQYLJF-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.80
Rot. Bonds8

About benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate

benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate (PubChem CID 18282128) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
PubChem CID18282128
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Namebenzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H19N3O4S/c25-18(22-12-19(26)28-13-15-7-3-1-4-8-15)11-17-14-29-21(23-17)24-20(27)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H,23,24,27)
InChIKeyJQAGIURSVQYLJF-UHFFFAOYSA-N
XLogP2.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-thiophen-2-ylethyl 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 86856851
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate (CID 18282128) is benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate?
The InChIKey is JQAGIURSVQYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c25-18(22-12-19(26)28-13-15-7-3-1-4-8-15)11-17-14-29-21(23-17)24-20(27)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,22,25)(H,23,24,27).
What are the key properties of benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate?
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate has a molecular weight of 409.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 18282128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).