5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole

C10H14N2S — CID 58610421

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C10H14N2S/c1-6-11-10(13-12-6)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3
InChIKeyBMPSGXVIHIHSCS-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.75
Rot. Bonds1

About 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole

5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 58610421) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole
PubChem CID58610421
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C10H14N2S/c1-6-11-10(13-12-6)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3
InChIKeyBMPSGXVIHIHSCS-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole (CID 58610421) is 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(C2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is BMPSGXVIHIHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6-11-10(13-12-6)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole?
5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 194.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).