3-hexan-2-yloxy-1,2,5-thiadiazole

C8H14N2OS — CID 23294146

IUPAC3-hexan-2-yloxy-1,2,5-thiadiazole
SMILESCCCCC(C)Oc1cnsn1
InChIInChI=1S/C8H14N2OS/c1-3-4-5-7(2)11-8-6-9-12-10-8/h6-7H,3-5H2,1-2H3
InChIKeyBMASOMSXVMFTHF-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.50
Rot. Bonds5

About 3-hexan-2-yloxy-1,2,5-thiadiazole

3-hexan-2-yloxy-1,2,5-thiadiazole (PubChem CID 23294146) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-hexan-2-yloxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-hexan-2-yloxy-1,2,5-thiadiazole
PubChem CID23294146
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-hexan-2-yloxy-1,2,5-thiadiazole
SMILESCCCCC(C)Oc1cnsn1
InChIInChI=1S/C8H14N2OS/c1-3-4-5-7(2)11-8-6-9-12-10-8/h6-7H,3-5H2,1-2H3
InChIKeyBMASOMSXVMFTHF-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-hexan-2-yloxy-1,2,5-thiadiazole 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 3-hexan-2-yloxy-1,2,5-thiadiazole?
The IUPAC name of 3-hexan-2-yloxy-1,2,5-thiadiazole (CID 23294146) is 3-hexan-2-yloxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-hexan-2-yloxy-1,2,5-thiadiazole?
The canonical SMILES for 3-hexan-2-yloxy-1,2,5-thiadiazole is CCCCC(C)Oc1cnsn1.
What is the InChIKey of 3-hexan-2-yloxy-1,2,5-thiadiazole?
The InChIKey is BMASOMSXVMFTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-5-7(2)11-8-6-9-12-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-hexan-2-yloxy-1,2,5-thiadiazole?
3-hexan-2-yloxy-1,2,5-thiadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yloxy-1,2,5-thiadiazole is sourced from PubChem (CID 23294146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).