ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate

C10H15N3O3S — CID 54787271

IUPACethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H15N3O3S/c1-3-8-12-13-10(17-8)11-7(14)5-6-9(15)16-4-2/h3-6H2,1-2H3,(H,11,13,14)
InChIKeyBZLJPKCXLPYUFC-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.38
Rot. Bonds6

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

ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate (PubChem CID 54787271) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
PubChem CID54787271
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H15N3O3S/c1-3-8-12-13-10(17-8)11-7(14)5-6-9(15)16-4-2/h3-6H2,1-2H3,(H,11,13,14)
InChIKeyBZLJPKCXLPYUFC-UHFFFAOYSA-N
XLogP1.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
CID 4044677
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
CID 934244
propyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 3065352
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
ethyl 3-[(5-chloro-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
CID 156888790

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate (CID 54787271) is ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1nnc(CC)s1.
What is the InChIKey of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate?
The InChIKey is BZLJPKCXLPYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-8-12-13-10(17-8)11-7(14)5-6-9(15)16-4-2/h3-6H2,1-2H3,(H,11,13,14).
What are the key properties of ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate?
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate has a molecular weight of 257.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 54787271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).