3-ethyl-1,2,4-thiadiazole-5-carboxamide

C5H7N3OS — CID 67485956

IUPAC3-ethyl-1,2,4-thiadiazole-5-carboxamide
SMILESCCc1nsc(C(N)=O)n1
InChIInChI=1S/C5H7N3OS/c1-2-3-7-5(4(6)9)10-8-3/h2H2,1H3,(H2,6,9)
InChIKeyDMTJJQPYTXKJFN-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.20
Rot. Bonds2

About 3-ethyl-1,2,4-thiadiazole-5-carboxamide

3-ethyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 67485956) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 3-ethyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID67485956
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name3-ethyl-1,2,4-thiadiazole-5-carboxamide
SMILESCCc1nsc(C(N)=O)n1
InChIInChI=1S/C5H7N3OS/c1-2-3-7-5(4(6)9)10-8-3/h2H2,1H3,(H2,6,9)
InChIKeyDMTJJQPYTXKJFN-UHFFFAOYSA-N
XLogP0.20
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1,2,4-thiadiazole-5-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 3-ethyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-ethyl-1,2,4-thiadiazole-5-carboxamide (CID 67485956) is 3-ethyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1,2,4-thiadiazole-5-carboxamide is CCc1nsc(C(N)=O)n1.
What is the InChIKey of 3-ethyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is DMTJJQPYTXKJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-2-3-7-5(4(6)9)10-8-3/h2H2,1H3,(H2,6,9).
What are the key properties of 3-ethyl-1,2,4-thiadiazole-5-carboxamide?
3-ethyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 67485956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).