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

C12H18N2OS — CID 71160405

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole
SMILESCCCOc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C12H18N2OS/c1-2-5-15-12-13-11(16-14-12)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3
InChIKeyFGKXJBMXYPWJLE-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.23
Rot. Bonds4

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

5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole (PubChem CID 71160405) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole
PubChem CID71160405
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole
SMILESCCCOc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C12H18N2OS/c1-2-5-15-12-13-11(16-14-12)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3
InChIKeyFGKXJBMXYPWJLE-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole (CID 71160405) is 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole is CCCOc1nsc(C2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole?
The InChIKey is FGKXJBMXYPWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-5-15-12-13-11(16-14-12)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole?
5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole is sourced from PubChem (CID 71160405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).