4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole

C14H12N2O2S — CID 70319073

IUPAC4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
SMILESCOc1ccc2c(OC)cc(-c3cscn3)nc2c1
InChIInChI=1S/C14H12N2O2S/c1-17-9-3-4-10-11(5-9)16-12(6-14(10)18-2)13-7-19-8-15-13/h3-8H,1-2H3
InChIKeyOJFJGNVJWLLEGW-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.38
Rot. Bonds3

About 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole

4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole (PubChem CID 70319073) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
PubChem CID70319073
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
SMILESCOc1ccc2c(OC)cc(-c3cscn3)nc2c1
InChIInChI=1S/C14H12N2O2S/c1-17-9-3-4-10-11(5-9)16-12(6-14(10)18-2)13-7-19-8-15-13/h3-8H,1-2H3
InChIKeyOJFJGNVJWLLEGW-UHFFFAOYSA-N
XLogP3.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole (CID 70319073) is 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole is COc1ccc2c(OC)cc(-c3cscn3)nc2c1.
What is the InChIKey of 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole?
The InChIKey is OJFJGNVJWLLEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-9-3-4-10-11(5-9)16-12(6-14(10)18-2)13-7-19-8-15-13/h3-8H,1-2H3.
What are the key properties of 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole?
4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole has a molecular weight of 272.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 70319073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).