1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride

C8H13ClN4OS — CID 142434852

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCc1nsc(N2CC(C(N)=O)C2)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-11-6)12-3-5(4-12)7(9)13;/h5H,2-4H2,1H3,(H2,9,13);1H
InChIKeyHDLPJNNIAIORLE-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride

1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride (PubChem CID 142434852) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
PubChem CID142434852
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCc1nsc(N2CC(C(N)=O)C2)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-11-6)12-3-5(4-12)7(9)13;/h5H,2-4H2,1H3,(H2,9,13);1H
InChIKeyHDLPJNNIAIORLE-UHFFFAOYSA-N
XLogP0.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride (CID 142434852) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride is CCc1nsc(N2CC(C(N)=O)C2)n1.Cl.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is HDLPJNNIAIORLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-11-6)12-3-5(4-12)7(9)13;/h5H,2-4H2,1H3,(H2,9,13);1H.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142434852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).