6-iodo-[1,2]thiazolo[5,4-b]quinoline

C10H5IN2S — CID 156783020

IUPAC6-iodo-[1,2]thiazolo[5,4-b]quinoline
SMILESIc1ccc2nc3sncc3cc2c1
InChIInChI=1S/C10H5IN2S/c11-8-1-2-9-6(4-8)3-7-5-12-14-10(7)13-9/h1-5H
InChIKeyBAVWXXLUZRDUTN-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.45
Rot. Bonds

About 6-iodo-[1,2]thiazolo[5,4-b]quinoline

6-iodo-[1,2]thiazolo[5,4-b]quinoline (PubChem CID 156783020) has the molecular formula C10H5IN2S and a molecular weight of 312.14 g/mol. Its IUPAC name is 6-iodo-[1,2]thiazolo[5,4-b]quinoline.

Molecular Properties

Compound Name6-iodo-[1,2]thiazolo[5,4-b]quinoline
PubChem CID156783020
Molecular FormulaC10H5IN2S
Molecular Weight312.14 g/mol
Exact Mass311.92
IUPAC Name6-iodo-[1,2]thiazolo[5,4-b]quinoline
SMILESIc1ccc2nc3sncc3cc2c1
InChIInChI=1S/C10H5IN2S/c11-8-1-2-9-6(4-8)3-7-5-12-14-10(7)13-9/h1-5H
InChIKeyBAVWXXLUZRDUTN-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-[1,2]thiazolo[5,4-b]quinoline?
The IUPAC name of 6-iodo-[1,2]thiazolo[5,4-b]quinoline (CID 156783020) is 6-iodo-[1,2]thiazolo[5,4-b]quinoline.
What is the SMILES notation for 6-iodo-[1,2]thiazolo[5,4-b]quinoline?
The canonical SMILES for 6-iodo-[1,2]thiazolo[5,4-b]quinoline is Ic1ccc2nc3sncc3cc2c1.
What is the InChIKey of 6-iodo-[1,2]thiazolo[5,4-b]quinoline?
The InChIKey is BAVWXXLUZRDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5IN2S/c11-8-1-2-9-6(4-8)3-7-5-12-14-10(7)13-9/h1-5H.
What are the key properties of 6-iodo-[1,2]thiazolo[5,4-b]quinoline?
6-iodo-[1,2]thiazolo[5,4-b]quinoline has a molecular weight of 312.14 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-[1,2]thiazolo[5,4-b]quinoline is sourced from PubChem (CID 156783020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).