(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate

C18H16N2O4S2 — CID 8748240

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESO=C(COc1ccccc1)NCC(=O)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H16N2O4S2/c21-16(10-23-15-4-2-1-3-5-15)19-8-17(22)24-9-14-12-26-18(20-14)13-6-7-25-11-13/h1-7,11-12H,8-10H2,(H,19,21)
InChIKeyQIQSTUZFRJIKJR-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.11
Rot. Bonds8

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

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 8748240) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID8748240
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESO=C(COc1ccccc1)NCC(=O)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H16N2O4S2/c21-16(10-23-15-4-2-1-3-5-15)19-8-17(22)24-9-14-12-26-18(20-14)13-6-7-25-11-13/h1-7,11-12H,8-10H2,(H,19,21)
InChIKeyQIQSTUZFRJIKJR-UHFFFAOYSA-N
XLogP3.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130865
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130912
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate (CID 8748240) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate is O=C(COc1ccccc1)NCC(=O)OCc1csc(-c2ccsc2)n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is QIQSTUZFRJIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c21-16(10-23-15-4-2-1-3-5-15)19-8-17(22)24-9-14-12-26-18(20-14)13-6-7-25-11-13/h1-7,11-12H,8-10H2,(H,19,21).
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 388.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 8748240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).