2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide

C7H11N3OS — CID 167061493

IUPAC2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide
SMILESCCc1nc(CC(=O)NC)ns1
InChIInChI=1S/C7H11N3OS/c1-3-7-9-5(10-12-7)4-6(11)8-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyRREZVPYGRMDDLT-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.39
Rot. Bonds3

About 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide

2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide (PubChem CID 167061493) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide
PubChem CID167061493
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide
SMILESCCc1nc(CC(=O)NC)ns1
InChIInChI=1S/C7H11N3OS/c1-3-7-9-5(10-12-7)4-6(11)8-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyRREZVPYGRMDDLT-UHFFFAOYSA-N
XLogP0.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide (CID 167061493) is 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide is CCc1nc(CC(=O)NC)ns1.
What is the InChIKey of 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide?
The InChIKey is RREZVPYGRMDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-7-9-5(10-12-7)4-6(11)8-2/h3-4H2,1-2H3,(H,8,11).
What are the key properties of 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide?
2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide has a molecular weight of 185.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,2,4-thiadiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 167061493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).