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

C12H18N2S — CID 130472468

IUPAC5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole
SMILESC[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C12H18N2S/c1-8-7-10(8)11-13-12(15-14-11)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyWNROQESELSMBHY-PSASIEDQSA-N
MW222.36 g/mol
LogP3.71
Rot. Bonds2

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

5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole (PubChem CID 130472468) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole
PubChem CID130472468
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole
SMILESC[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1
InChIInChI=1S/C12H18N2S/c1-8-7-10(8)11-13-12(15-14-11)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyWNROQESELSMBHY-PSASIEDQSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.71
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-methylcyclopropyl]-1,2,4-thiadiazole?
The IUPAC name of 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole (CID 130472468) is 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole is C[C@@H]1C[C@H]1c1nsc(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole?
The InChIKey is WNROQESELSMBHY-PSASIEDQSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-7-10(8)11-13-12(15-14-11)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of 5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole?
5-cyclohexyl-3-[(1R,2R)-2-methylcyclopropyl]-1,2,4-thiadiazole has a molecular weight of 222.36 g/mol, XLogP of 3.71, 2 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-methylcyclopropyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130472468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).