ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate

C13H15N3O3S — CID 1499132

IUPACethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1Nc1ccc(OCC)cc1
InChIInChI=1S/C13H15N3O3S/c1-3-18-10-7-5-9(6-8-10)14-12-11(15-16-20-12)13(17)19-4-2/h5-8,14H,3-4H2,1-2H3
InChIKeyRJHUETHWEIVGOZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.86
Rot. Bonds6

About ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate

ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate (PubChem CID 1499132) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate
PubChem CID1499132
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1Nc1ccc(OCC)cc1
InChIInChI=1S/C13H15N3O3S/c1-3-18-10-7-5-9(6-8-10)14-12-11(15-16-20-12)13(17)19-4-2/h5-8,14H,3-4H2,1-2H3
InChIKeyRJHUETHWEIVGOZ-UHFFFAOYSA-N
XLogP2.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-ethoxyanilino)thiadiazole-4-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

ethyl 5-[[4-(3-methylbutoxy)benzoyl]amino]thiadiazole-4-carboxylate
CID 55642626
5-(4-aminoanilino)thiadiazole-4-carboxamide
CID 1499191
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethyl 5-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]thiadiazole-4-carboxylate
CID 6002132
ethyl 5-[(2Z)-2-(4-ethoxy-4-oxobutan-2-ylidene)hydrazinyl]thiadiazole-4-carboxylate
CID 6060895
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
CID 135819069
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
5-(4-ethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375285
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate (CID 1499132) is ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate?
The InChIKey is RJHUETHWEIVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-18-10-7-5-9(6-8-10)14-12-11(15-16-20-12)13(17)19-4-2/h5-8,14H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate?
ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-ethoxyanilino)thiadiazole-4-carboxylate is sourced from PubChem (CID 1499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).