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

C12H21N3OS — CID 65280079

IUPAC1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
SMILESCC(C)c1nsc(OCC2(N)CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)10-14-11(17-15-10)16-8-12(13)6-4-3-5-7-12/h9H,3-8,13H2,1-2H3
InChIKeyXVACMBPCPXGEMB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.70
Rot. Bonds4

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

1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 65280079) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
PubChem CID65280079
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
SMILESCC(C)c1nsc(OCC2(N)CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)10-14-11(17-15-10)16-8-12(13)6-4-3-5-7-12/h9H,3-8,13H2,1-2H3
InChIKeyXVACMBPCPXGEMB-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]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 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine (CID 65280079) is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine is CC(C)c1nsc(OCC2(N)CCCCC2)n1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is XVACMBPCPXGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)10-14-11(17-15-10)16-8-12(13)6-4-3-5-7-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine?
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 65280079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).