5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

C14H22N4S — CID 66280302

IUPAC5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N)ns1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N4S/c1-8(16-13-17-12(15)18-19-13)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyNAUSYRPLBVRCAL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.14
Rot. Bonds3

About 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280302) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280302
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N)ns1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N4S/c1-8(16-13-17-12(15)18-19-13)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyNAUSYRPLBVRCAL-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 66280302) is 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is CC(Nc1nc(N)ns1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is NAUSYRPLBVRCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8(16-13-17-12(15)18-19-13)14-5-9-2-10(6-14)4-11(3-9)7-14/h8-11H,2-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(1-adamantyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).