ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate

C14H15N3O3S2 — CID 7119291

IUPACethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-12(19)8-15-11(18)9-21-14-16-13(17-22-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyIMYZICUPWQQQJT-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.98
Rot. Bonds7

About ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate

ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate (PubChem CID 7119291) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate
PubChem CID7119291
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Nameethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-12(19)8-15-11(18)9-21-14-16-13(17-22-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18)
InChIKeyIMYZICUPWQQQJT-UHFFFAOYSA-N
XLogP1.98
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 5183345
Ethyl 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetate
CID 7119313
1-Morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 7119247
Ethyl 2-[[2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]acetate
CID 7119349
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571574
N-[(oxolan-2-yl)methyl]-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 18554663
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 16188367
Glycine, N-(1-oxo-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propyl)-, ethyl ester, (+-)-
CID 3046120
N-phenethyl-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571575
Ethyl 2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate
CID 6623977
N-benzyl-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119408
3-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole-5-carboxamide
CID 138020944

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate (CID 7119291) is ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc(-c2ccccc2)ns1.
What is the InChIKey of ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate?
The InChIKey is IMYZICUPWQQQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-2-20-12(19)8-15-11(18)9-21-14-16-13(17-22-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,18).
What are the key properties of ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate?
ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate has a molecular weight of 337.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 7119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).