N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

C11H11N3O2S — CID 900722

IUPACN-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-2-16-9-5-3-8(4-6-9)13-11(15)10-7-12-17-14-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyKLTHZZMEMHCNNG-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.19
Rot. Bonds4

About N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 900722) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID900722
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-2-16-9-5-3-8(4-6-9)13-11(15)10-7-12-17-14-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyKLTHZZMEMHCNNG-UHFFFAOYSA-N
XLogP2.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 900722) is N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is CCOc1ccc(NC(=O)c2cnsn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is KLTHZZMEMHCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-9-5-3-8(4-6-9)13-11(15)10-7-12-17-14-10/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 900722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).