benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate

C17H14N2O3S2 — CID 51238548

IUPACbenzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1csc(-c2ccsc2)n1)OCc1ccccc1
InChIInChI=1S/C17H14N2O3S2/c20-15(22-9-12-4-2-1-3-5-12)8-18-16(21)14-11-24-17(19-14)13-6-7-23-10-13/h1-7,10-11H,8-9H2,(H,18,21)
InChIKeyURGRFGAHIDTHIY-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.34
Rot. Bonds6

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

benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (PubChem CID 51238548) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
PubChem CID51238548
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Namebenzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1csc(-c2ccsc2)n1)OCc1ccccc1
InChIInChI=1S/C17H14N2O3S2/c20-15(22-9-12-4-2-1-3-5-12)8-18-16(21)14-11-24-17(19-14)13-6-7-23-10-13/h1-7,10-11H,8-9H2,(H,18,21)
InChIKeyURGRFGAHIDTHIY-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
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
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
N-[2-(2-methylphenoxy)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55907571
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (CID 51238548) is benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is O=C(CNC(=O)c1csc(-c2ccsc2)n1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The InChIKey is URGRFGAHIDTHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-15(22-9-12-4-2-1-3-5-12)8-18-16(21)14-11-24-17(19-14)13-6-7-23-10-13/h1-7,10-11H,8-9H2,(H,18,21).
What are the key properties of benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate has a molecular weight of 358.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 51238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).