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

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Related Compounds

3-pentoxy-1,2,5-thiadiazole
CID 67813454
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105125486
1-(2-ethylhexylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107820071
1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54298704
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
5-hexan-2-yloxypyridin-2-amine
CID 169188351
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
5-iodo-2-octan-2-yloxypyrimidine
CID 116649161
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
CID 18551752
CID 18551752

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).