[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C15H15N3O4S — CID 8535449

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H15N3O4S/c1-3-12-14(23-18-17-12)15(21)22-8-13(20)10-4-6-11(7-5-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,16,19)
InChIKeyGXFGHQICNAYMKL-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.10
Rot. Bonds6

About [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535449) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535449
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H15N3O4S/c1-3-12-14(23-18-17-12)15(21)22-8-13(20)10-4-6-11(7-5-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,16,19)
InChIKeyGXFGHQICNAYMKL-UHFFFAOYSA-N
XLogP2.10
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate 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

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535395
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535773
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534701
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55394303
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535146
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576923
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535520

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8535449) is [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is GXFGHQICNAYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-3-12-14(23-18-17-12)15(21)22-8-13(20)10-4-6-11(7-5-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,16,19).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).