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

C6H9N3OS — CID 135170512

IUPACN-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
SMILESCCNC(=O)c1nsc(C)n1
InChIInChI=1S/C6H9N3OS/c1-3-7-6(10)5-8-4(2)11-9-5/h3H2,1-2H3,(H,7,10)
InChIKeyYXWCQDWZVNHJDH-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.60
Rot. Bonds2

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

N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide (PubChem CID 135170512) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
PubChem CID135170512
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
SMILESCCNC(=O)c1nsc(C)n1
InChIInChI=1S/C6H9N3OS/c1-3-7-6(10)5-8-4(2)11-9-5/h3H2,1-2H3,(H,7,10)
InChIKeyYXWCQDWZVNHJDH-UHFFFAOYSA-N
XLogP0.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide (CID 135170512) is N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide is CCNC(=O)c1nsc(C)n1.
What is the InChIKey of N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is YXWCQDWZVNHJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-7-6(10)5-8-4(2)11-9-5/h3H2,1-2H3,(H,7,10).
What are the key properties of N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide?
N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 135170512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).