(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene

C18H26N4OS — CID 21063535

IUPAC(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene
SMILES[H]/N=N/c1cc2sc(N3CCCCC3)nc2cc1OCCCCCC
InChIInChI=1S/C18H26N4OS/c1-2-3-4-8-11-23-16-12-15-17(13-14(16)21-19)24-18(20-15)22-9-6-5-7-10-22/h12-13,19H,2-11H2,1H3/b21-19+
InChIKeyZHSIEOCAMHDFEY-XUTLUUPISA-N
MW346.50 g/mol
LogP5.91
Rot. Bonds8

About (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene

(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene (PubChem CID 21063535) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene.

Molecular Properties

Compound Name(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene
PubChem CID21063535
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene
SMILES[H]/N=N/c1cc2sc(N3CCCCC3)nc2cc1OCCCCCC
InChIInChI=1S/C18H26N4OS/c1-2-3-4-8-11-23-16-12-15-17(13-14(16)21-19)24-18(20-15)22-9-6-5-7-10-22/h12-13,19H,2-11H2,1H3/b21-19+
InChIKeyZHSIEOCAMHDFEY-XUTLUUPISA-N
XLogP5.91
TPSA61.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene?
The IUPAC name of (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene (CID 21063535) is (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene.
What is the SMILES notation for (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene?
The canonical SMILES for (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene is [H]/N=N/c1cc2sc(N3CCCCC3)nc2cc1OCCCCCC.
What is the InChIKey of (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene?
The InChIKey is ZHSIEOCAMHDFEY-XUTLUUPISA-N. The full InChI is InChI=1S/C18H26N4OS/c1-2-3-4-8-11-23-16-12-15-17(13-14(16)21-19)24-18(20-15)22-9-6-5-7-10-22/h12-13,19H,2-11H2,1H3/b21-19+.
What are the key properties of (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene?
(5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene has a molecular weight of 346.50 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hexoxy-2-piperidin-1-yl-1,3-benzothiazol-6-yl)diazene is sourced from PubChem (CID 21063535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).