2-hexan-3-yloxy-1,3-benzothiazole

C13H17NOS — CID 2843416

IUPAC2-hexan-3-yloxy-1,3-benzothiazole
SMILESCCCC(CC)Oc1nc2ccccc2s1
InChIInChI=1S/C13H17NOS/c1-3-7-10(4-2)15-13-14-11-8-5-6-9-12(11)16-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyZWALQGKTJSYDFZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.25
Rot. Bonds5

About 2-hexan-3-yloxy-1,3-benzothiazole

2-hexan-3-yloxy-1,3-benzothiazole (PubChem CID 2843416) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-hexan-3-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-hexan-3-yloxy-1,3-benzothiazole
PubChem CID2843416
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-hexan-3-yloxy-1,3-benzothiazole
SMILESCCCC(CC)Oc1nc2ccccc2s1
InChIInChI=1S/C13H17NOS/c1-3-7-10(4-2)15-13-14-11-8-5-6-9-12(11)16-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyZWALQGKTJSYDFZ-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yloxy-1,3-benzothiazole?
The IUPAC name of 2-hexan-3-yloxy-1,3-benzothiazole (CID 2843416) is 2-hexan-3-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-hexan-3-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-hexan-3-yloxy-1,3-benzothiazole is CCCC(CC)Oc1nc2ccccc2s1.
What is the InChIKey of 2-hexan-3-yloxy-1,3-benzothiazole?
The InChIKey is ZWALQGKTJSYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-7-10(4-2)15-13-14-11-8-5-6-9-12(11)16-13/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 2-hexan-3-yloxy-1,3-benzothiazole?
2-hexan-3-yloxy-1,3-benzothiazole has a molecular weight of 235.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yloxy-1,3-benzothiazole is sourced from PubChem (CID 2843416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).