5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole

C10H15N3S — CID 126810635

IUPAC5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC3CC32)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)13-5-3-4-7-6-8(7)13/h7-8H,2-6H2,1H3
InChIKeyWHUBWSQVFXDBJD-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.09
Rot. Bonds2

About 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole

5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 126810635) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID126810635
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC3CC32)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)13-5-3-4-7-6-8(7)13/h7-8H,2-6H2,1H3
InChIKeyWHUBWSQVFXDBJD-UHFFFAOYSA-N
XLogP2.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Azepan-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 71925345
3-Methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
CID 58487588
3-methyl-5-[(4S)-4-methylazepan-1-yl]-1,2,4-thiadiazole
CID 97074388
3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropiperidine
CID 126776536
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
3-cyclopropyl-5-[(3S)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349569
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(fluoromethyl)piperidine
CID 166602978

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole (CID 126810635) is 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCCC3CC32)n1.
What is the InChIKey of 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is WHUBWSQVFXDBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)13-5-3-4-7-6-8(7)13/h7-8H,2-6H2,1H3.
What are the key properties of 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole?
5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 126810635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).