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

C8H13ClN4OS — CID 160987118

IUPACN-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCc1nsc(NC(=O)C2CNC2)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-12-6)11-7(13)5-3-9-4-5;/h5,9H,2-4H2,1H3,(H,10,11,12,13);1H
InChIKeyHWMVVJKKTOVSSJ-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.68
Rot. Bonds3

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

N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride (PubChem CID 160987118) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
PubChem CID160987118
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
SMILESCCc1nsc(NC(=O)C2CNC2)n1.Cl
InChIInChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-12-6)11-7(13)5-3-9-4-5;/h5,9H,2-4H2,1H3,(H,10,11,12,13);1H
InChIKeyHWMVVJKKTOVSSJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxamide
CID 146125731
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride
CID 142434852
N-methyl-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 143219882
1-[5-(2-Methylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132701
N,N-dimethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65267803
N-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65268106
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
CID 65268164
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65268260
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide
CID 65271116
N,N-dimethyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65271172
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide
CID 65271173
N,N-dimethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65271174

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride (CID 160987118) is N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride is CCc1nsc(NC(=O)C2CNC2)n1.Cl.
What is the InChIKey of N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is HWMVVJKKTOVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS.ClH/c1-2-6-10-8(14-12-6)11-7(13)5-3-9-4-5;/h5,9H,2-4H2,1H3,(H,10,11,12,13);1H.
What are the key properties of N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride?
N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 248.74 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 160987118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).