3-octyl-1,2-thiazole;quinoline

C20H26N2S — CID 174933625

IUPAC3-octyl-1,2-thiazole;quinoline
SMILESCCCCCCCCc1ccsn1.c1ccc2ncccc2c1
InChIInChI=1S/C11H19NS.C9H7N/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;1-2-6-9-8(4-1)5-3-7-10-9/h9-10H,2-8H2,1H3;1-7H
InChIKeyRBVYBVPPPSQAMZ-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.28
Rot. Bonds7

About 3-octyl-1,2-thiazole;quinoline

3-octyl-1,2-thiazole;quinoline (PubChem CID 174933625) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 3-octyl-1,2-thiazole;quinoline.

Molecular Properties

Compound Name3-octyl-1,2-thiazole;quinoline
PubChem CID174933625
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name3-octyl-1,2-thiazole;quinoline
SMILESCCCCCCCCc1ccsn1.c1ccc2ncccc2c1
InChIInChI=1S/C11H19NS.C9H7N/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;1-2-6-9-8(4-1)5-3-7-10-9/h9-10H,2-8H2,1H3;1-7H
InChIKeyRBVYBVPPPSQAMZ-UHFFFAOYSA-N
XLogP6.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-octyl-1,2-thiazole;quinoline?
The IUPAC name of 3-octyl-1,2-thiazole;quinoline (CID 174933625) is 3-octyl-1,2-thiazole;quinoline.
What is the SMILES notation for 3-octyl-1,2-thiazole;quinoline?
The canonical SMILES for 3-octyl-1,2-thiazole;quinoline is CCCCCCCCc1ccsn1.c1ccc2ncccc2c1.
What is the InChIKey of 3-octyl-1,2-thiazole;quinoline?
The InChIKey is RBVYBVPPPSQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS.C9H7N/c1-2-3-4-5-6-7-8-11-9-10-13-12-11;1-2-6-9-8(4-1)5-3-7-10-9/h9-10H,2-8H2,1H3;1-7H.
What are the key properties of 3-octyl-1,2-thiazole;quinoline?
3-octyl-1,2-thiazole;quinoline has a molecular weight of 326.51 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-1,2-thiazole;quinoline is sourced from PubChem (CID 174933625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).