4-chloro-[1,3]thiazolo[4,5-c]quinoline

C10H5ClN2S — CID 141201536

IUPAC4-chloro-[1,3]thiazolo[4,5-c]quinoline
SMILESClc1nc2ccccc2c2scnc12
InChIInChI=1S/C10H5ClN2S/c11-10-8-9(14-5-12-8)6-3-1-2-4-7(6)13-10/h1-5H
InChIKeyVSLRGFYQIUZFFJ-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.50
Rot. Bonds

About 4-chloro-[1,3]thiazolo[4,5-c]quinoline

4-chloro-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 141201536) has the molecular formula C10H5ClN2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-chloro-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-chloro-[1,3]thiazolo[4,5-c]quinoline
PubChem CID141201536
Molecular FormulaC10H5ClN2S
Molecular Weight220.68 g/mol
Exact Mass219.99
IUPAC Name4-chloro-[1,3]thiazolo[4,5-c]quinoline
SMILESClc1nc2ccccc2c2scnc12
InChIInChI=1S/C10H5ClN2S/c11-10-8-9(14-5-12-8)6-3-1-2-4-7(6)13-10/h1-5H
InChIKeyVSLRGFYQIUZFFJ-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 4-chloro-[1,3]thiazolo[4,5-c]quinoline (CID 141201536) is 4-chloro-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 4-chloro-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 4-chloro-[1,3]thiazolo[4,5-c]quinoline is Clc1nc2ccccc2c2scnc12.
What is the InChIKey of 4-chloro-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is VSLRGFYQIUZFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2S/c11-10-8-9(14-5-12-8)6-3-1-2-4-7(6)13-10/h1-5H.
What are the key properties of 4-chloro-[1,3]thiazolo[4,5-c]quinoline?
4-chloro-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 220.68 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 141201536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).