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

C18H16N2O3S2 — CID 32982193

IUPACbenzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O3S2/c21-16(8-15-12-25-18(20-15)14-6-7-24-11-14)19-9-17(22)23-10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,21)
InChIKeyJKNLUXKAASKFTB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.27
Rot. Bonds7

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

benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate (PubChem CID 32982193) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
PubChem CID32982193
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Namebenzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O3S2/c21-16(8-15-12-25-18(20-15)14-6-7-24-11-14)19-9-17(22)23-10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,21)
InChIKeyJKNLUXKAASKFTB-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate (CID 32982193) is benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate is O=C(Cc1csc(-c2ccsc2)n1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
The InChIKey is JKNLUXKAASKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c21-16(8-15-12-25-18(20-15)14-6-7-24-11-14)19-9-17(22)23-10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,21).
What are the key properties of benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate?
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate has a molecular weight of 372.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate is sourced from PubChem (CID 32982193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).