5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole

C9H13N3S — CID 14763553

IUPAC5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
InChIKeyPXJWPCMAUXXZOD-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.27
Rot. Bonds1

About 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole

5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 14763553) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID14763553
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
InChIKeyPXJWPCMAUXXZOD-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole (CID 14763553) is 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(C2CN3CCC2C3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is PXJWPCMAUXXZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole?
5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 14763553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).