5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine

C9H15N3S — CID 64536587

IUPAC5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKeyCLPVKXAJQCXXSQ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.24
Rot. Bonds2

About 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine

5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64536587) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine
PubChem CID64536587
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)
InChIKeyCLPVKXAJQCXXSQ-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine (CID 64536587) is 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(CC2CCCCC2)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is CLPVKXAJQCXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12).
What are the key properties of 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine?
5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).