2-quinolin-2-yl-1,3-benzothiazole

C16H10N2S — CID 699802

IUPAC2-quinolin-2-yl-1,3-benzothiazole
SMILESc1ccc2nc(-c3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C16H10N2S/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10H
InChIKeyUUEGANDSQCTZQT-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.51
Rot. Bonds1

About 2-quinolin-2-yl-1,3-benzothiazole

2-quinolin-2-yl-1,3-benzothiazole (PubChem CID 699802) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-quinolin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-quinolin-2-yl-1,3-benzothiazole
PubChem CID699802
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name2-quinolin-2-yl-1,3-benzothiazole
SMILESc1ccc2nc(-c3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C16H10N2S/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10H
InChIKeyUUEGANDSQCTZQT-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-1,3-benzothiazole?
The IUPAC name of 2-quinolin-2-yl-1,3-benzothiazole (CID 699802) is 2-quinolin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-quinolin-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-quinolin-2-yl-1,3-benzothiazole is c1ccc2nc(-c3nc4ccccc4s3)ccc2c1.
What is the InChIKey of 2-quinolin-2-yl-1,3-benzothiazole?
The InChIKey is UUEGANDSQCTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c1-2-6-12-11(5-1)9-10-14(17-12)16-18-13-7-3-4-8-15(13)19-16/h1-10H.
What are the key properties of 2-quinolin-2-yl-1,3-benzothiazole?
2-quinolin-2-yl-1,3-benzothiazole has a molecular weight of 262.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 699802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).