5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole

C13H20N2S — CID 130467182

IUPAC5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole
SMILESCC[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C13H20N2S/c1-2-9-8-11(9)12-14-13(16-15-12)10-6-4-3-5-7-10/h9-11H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyFMSPJOWBVMXSPC-MWLCHTKSSA-N
MW236.38 g/mol
LogP4.10
Rot. Bonds3

About 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole

5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole (PubChem CID 130467182) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole
PubChem CID130467182
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole
SMILESCC[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C13H20N2S/c1-2-9-8-11(9)12-14-13(16-15-12)10-6-4-3-5-7-10/h9-11H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyFMSPJOWBVMXSPC-MWLCHTKSSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole?
The IUPAC name of 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole (CID 130467182) is 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole is CC[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole?
The InChIKey is FMSPJOWBVMXSPC-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-9-8-11(9)12-14-13(16-15-12)10-6-4-3-5-7-10/h9-11H,2-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole?
5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole has a molecular weight of 236.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(1R,2R)-2-ethylcyclopropyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130467182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).