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

C10H19N3S — CID 64543457

IUPAC5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine
SMILESCC(Cc1nc(N)ns1)CC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7(6-10(2,3)4)5-8-12-9(11)13-14-8/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKeyFWYZRDZPHULBHL-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.74
Rot. Bonds3

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

5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64543457) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine
PubChem CID64543457
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine
SMILESCC(Cc1nc(N)ns1)CC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7(6-10(2,3)4)5-8-12-9(11)13-14-8/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKeyFWYZRDZPHULBHL-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine 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-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine (CID 64543457) is 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine is CC(Cc1nc(N)ns1)CC(C)(C)C.
What is the InChIKey of 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is FWYZRDZPHULBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(6-10(2,3)4)5-8-12-9(11)13-14-8/h7H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine?
5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 213.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).