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

C15H17N3O4S — CID 665231

IUPACethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1
InChIInChI=1S/C15H17N3O4S/c1-3-21-14(20)8-13-17-18-15(23-13)16-12(19)9-22-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeyDOWXYMBQDLYTJW-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.97
Rot. Bonds7

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

ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 665231) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
PubChem CID665231
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1
InChIInChI=1S/C15H17N3O4S/c1-3-21-14(20)8-13-17-18-15(23-13)16-12(19)9-22-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeyDOWXYMBQDLYTJW-UHFFFAOYSA-N
XLogP1.97
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 5904691
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (CID 665231) is ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1.
What is the InChIKey of ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is DOWXYMBQDLYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-21-14(20)8-13-17-18-15(23-13)16-12(19)9-22-11-6-4-10(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-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 335.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 665231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).