3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine

C13H21N3S — CID 65271315

IUPAC3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2nc(C3CC3)ns2)C1C
InChIInChI=1S/C13H21N3S/c1-8-4-3-5-11(9(8)2)14-13-15-12(16-17-13)10-6-7-10/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeySSEJYZFKYUPTRV-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.65
Rot. Bonds3

About 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271315) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271315
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2nc(C3CC3)ns2)C1C
InChIInChI=1S/C13H21N3S/c1-8-4-3-5-11(9(8)2)14-13-15-12(16-17-13)10-6-7-10/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeySSEJYZFKYUPTRV-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65271315) is 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is CC1CCCC(Nc2nc(C3CC3)ns2)C1C.
What is the InChIKey of 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SSEJYZFKYUPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8-4-3-5-11(9(8)2)14-13-15-12(16-17-13)10-6-7-10/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).