1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

C14H8ClN3S — CID 14925903

IUPAC1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESClc1ccc(-c2nnc3sc4ccccc4n23)cc1
InChIInChI=1S/C14H8ClN3S/c15-10-7-5-9(6-8-10)13-16-17-14-18(13)11-3-1-2-4-12(11)19-14/h1-8H
InChIKeyLLARVDZHGCSLJG-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.26
Rot. Bonds1

About 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (PubChem CID 14925903) has the molecular formula C14H8ClN3S and a molecular weight of 285.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
PubChem CID14925903
Molecular FormulaC14H8ClN3S
Molecular Weight285.76 g/mol
Exact Mass285.01
IUPAC Name1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILESClc1ccc(-c2nnc3sc4ccccc4n23)cc1
InChIInChI=1S/C14H8ClN3S/c15-10-7-5-9(6-8-10)13-16-17-14-18(13)11-3-1-2-4-12(11)19-14/h1-8H
InChIKeyLLARVDZHGCSLJG-UHFFFAOYSA-N
XLogP4.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The IUPAC name of 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CID 14925903) is 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
What is the SMILES notation for 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The canonical SMILES for 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is Clc1ccc(-c2nnc3sc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The InChIKey is LLARVDZHGCSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3S/c15-10-7-5-9(6-8-10)13-16-17-14-18(13)11-3-1-2-4-12(11)19-14/h1-8H.
What are the key properties of 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole has a molecular weight of 285.76 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is sourced from PubChem (CID 14925903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).