2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole

C13H9ClN2OS — CID 1488829

IUPAC2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole
SMILESClc1ncc(COc2cccc3cccnc23)s1
InChIInChI=1S/C13H9ClN2OS/c14-13-16-7-10(18-13)8-17-11-5-1-3-9-4-2-6-15-12(9)11/h1-7H,8H2
InChIKeyPNCSIQXVBNGSRL-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole

2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole (PubChem CID 1488829) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole
PubChem CID1488829
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole
SMILESClc1ncc(COc2cccc3cccnc23)s1
InChIInChI=1S/C13H9ClN2OS/c14-13-16-7-10(18-13)8-17-11-5-1-3-9-4-2-6-15-12(9)11/h1-7H,8H2
InChIKeyPNCSIQXVBNGSRL-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole (CID 1488829) is 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole is Clc1ncc(COc2cccc3cccnc23)s1.
What is the InChIKey of 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole?
The InChIKey is PNCSIQXVBNGSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-13-16-7-10(18-13)8-17-11-5-1-3-9-4-2-6-15-12(9)11/h1-7H,8H2.
What are the key properties of 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole?
2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole has a molecular weight of 276.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(quinolin-8-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 1488829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).