5-cyclohexyl-1,2,4-thiadiazol-3-amine

C8H13N3S — CID 64536605

IUPAC5-cyclohexyl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCCCC2)n1
InChIInChI=1S/C8H13N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)
InChIKeyPWMGSKPLZLSOOJ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.17
Rot. Bonds1

About 5-cyclohexyl-1,2,4-thiadiazol-3-amine

5-cyclohexyl-1,2,4-thiadiazol-3-amine (PubChem CID 64536605) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-cyclohexyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-1,2,4-thiadiazol-3-amine
PubChem CID64536605
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-cyclohexyl-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CCCCC2)n1
InChIInChI=1S/C8H13N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)
InChIKeyPWMGSKPLZLSOOJ-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-cyclohexyl-1,2,4-thiadiazol-3-amine (CID 64536605) is 5-cyclohexyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-cyclohexyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-cyclohexyl-1,2,4-thiadiazol-3-amine is Nc1nsc(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-1,2,4-thiadiazol-3-amine?
The InChIKey is PWMGSKPLZLSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11).
What are the key properties of 5-cyclohexyl-1,2,4-thiadiazol-3-amine?
5-cyclohexyl-1,2,4-thiadiazol-3-amine has a molecular weight of 183.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64536605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).