1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one

C13H15N3O2S — CID 858321

IUPAC1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCOc1ccc(Nc2nc(CC(C)=O)ns2)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-6-4-10(5-7-11)14-13-15-12(16-19-13)8-9(2)17/h4-7H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyZHNGTJTZGUYXNO-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds6

About 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 858321) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID858321
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCOc1ccc(Nc2nc(CC(C)=O)ns2)cc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-6-4-10(5-7-11)14-13-15-12(16-19-13)8-9(2)17/h4-7H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyZHNGTJTZGUYXNO-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one 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

1-{5-[(3,4-Dimethoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 647717
1-[5-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-[1,2,4]thiadiazol-3-yl]-propan-2-one
CID 656109
1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
1-[5-(3-Methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4694173
1-(4-Ethoxy-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 3779522
3-N,5-N-bis(4-ethoxyphenyl)-1,2,4-thiadiazole-3,5-diamine
CID 32147203
1-[5-(4-Methoxyphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol
CID 145989894
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-[4-fluoro-2-(2-methylpropoxy)phenyl]urea
CID 66999167
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea
CID 66999289
1-[4-Fluoro-2-(2-methylpropoxy)phenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 66999532
N-(4-butoxyphenyl)-N'-(3-methyl-1,2,4-triazol-5-yl)-thiourea
CID 129789680
(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
CID 139041196

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 858321) is 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one is CCOc1ccc(Nc2nc(CC(C)=O)ns2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is ZHNGTJTZGUYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-11-6-4-10(5-7-11)14-13-15-12(16-19-13)8-9(2)17/h4-7H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 277.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 858321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).