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

C13H23N3S — CID 65274405

IUPACN-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-4-5-12-15-13(17-16-12)14-11-7-6-9(2)10(3)8-11/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLPYWVHNJAFMKDD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.73
Rot. Bonds4

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

N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65274405) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65274405
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-4-5-12-15-13(17-16-12)14-11-7-6-9(2)10(3)8-11/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLPYWVHNJAFMKDD-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65274405) is N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LPYWVHNJAFMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-5-12-15-13(17-16-12)14-11-7-6-9(2)10(3)8-11/h9-11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).