5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole

C9H13N3S — CID 130617041

IUPAC5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CCCC32)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)12-5-7-3-2-4-8(7)12/h7-8H,2-5H2,1H3
InChIKeyLLQCWZLSKCATFE-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.84
Rot. Bonds1

About 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole

5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 130617041) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID130617041
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3CCCC32)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)12-5-7-3-2-4-8(7)12/h7-8H,2-5H2,1H3
InChIKeyLLQCWZLSKCATFE-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133428675
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992743
1-(3-methyl-1,2,4-thiadiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 65268352
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
5-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 67783853
5-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 99811960
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine
CID 82751546
5-(4,4-dimethylazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 133323324
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981

Frequently Asked Questions

What is the IUPAC name of 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole (CID 130617041) is 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC3CCCC32)n1.
What is the InChIKey of 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is LLQCWZLSKCATFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-10-9(13-11-6)12-5-7-3-2-4-8(7)12/h7-8H,2-5H2,1H3.
What are the key properties of 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole?
5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 130617041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).