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

C15H17N3O5S — CID 1400074

IUPACethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H17N3O5S/c1-3-22-14(20)8-13-17-18-15(24-13)16-12(19)9-23-11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeySVDZPJHSOBBEBW-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.67
Rot. Bonds8

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

ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 1400074) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
PubChem CID1400074
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H17N3O5S/c1-3-22-14(20)8-13-17-18-15(24-13)16-12(19)9-23-11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeySVDZPJHSOBBEBW-UHFFFAOYSA-N
XLogP1.67
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]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

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
Ethyl ({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}amino)(oxo)acetate
CID 2163065
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
4-(4-Methoxy-phenoxy)-N-[5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 645252
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
Ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665231
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
CID 2932483
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3957929
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 921302
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (CID 1400074) is ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(NC(=O)COc2ccc(OC)cc2)s1.
What is the InChIKey of ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is SVDZPJHSOBBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-3-22-14(20)8-13-17-18-15(24-13)16-12(19)9-23-11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 351.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 1400074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).