8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

C12H18N4S — CID 65275933

IUPAC8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H18N4S/c13-8-5-9-3-4-10(6-8)16(9)12-14-11(15-17-12)7-1-2-7/h7-10H,1-6,13H2
InChIKeyKZSRZEDSHDOSOJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.87
Rot. Bonds2

About 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65275933) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65275933
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H18N4S/c13-8-5-9-3-4-10(6-8)16(9)12-14-11(15-17-12)7-1-2-7/h7-10H,1-6,13H2
InChIKeyKZSRZEDSHDOSOJ-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 65275933) is 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1nc(C2CC2)ns1.
What is the InChIKey of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KZSRZEDSHDOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c13-8-5-9-3-4-10(6-8)16(9)12-14-11(15-17-12)7-1-2-7/h7-10H,1-6,13H2.
What are the key properties of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65275933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).