4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C11H19N3S — CID 82473492

IUPAC4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)c1nnc(C2CCC(N)CC2)s1
InChIInChI=1S/C11H19N3S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h7-9H,3-6,12H2,1-2H3
InChIKeyBEQVYAPVYZKTQE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.65
Rot. Bonds2

About 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 82473492) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID82473492
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)c1nnc(C2CCC(N)CC2)s1
InChIInChI=1S/C11H19N3S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h7-9H,3-6,12H2,1-2H3
InChIKeyBEQVYAPVYZKTQE-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-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 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 82473492) is 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CC(C)c1nnc(C2CCC(N)CC2)s1.
What is the InChIKey of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is BEQVYAPVYZKTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 82473492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).