2-quinolin-2-ylsulfanyl-1,3-benzothiazole

C16H10N2S2 — CID 5066855

IUPAC2-quinolin-2-ylsulfanyl-1,3-benzothiazole
SMILESc1ccc2nc(Sc3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C16H10N2S2/c1-2-6-12-11(5-1)9-10-15(17-12)20-16-18-13-7-3-4-8-14(13)19-16/h1-10H
InChIKeyKJQOUOSLEOQLHV-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.00
Rot. Bonds2

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

2-quinolin-2-ylsulfanyl-1,3-benzothiazole (PubChem CID 5066855) has the molecular formula C16H10N2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-1,3-benzothiazole
PubChem CID5066855
Molecular FormulaC16H10N2S2
Molecular Weight294.40 g/mol
Exact Mass294.03
IUPAC Name2-quinolin-2-ylsulfanyl-1,3-benzothiazole
SMILESc1ccc2nc(Sc3nc4ccccc4s3)ccc2c1
InChIInChI=1S/C16H10N2S2/c1-2-6-12-11(5-1)9-10-15(17-12)20-16-18-13-7-3-4-8-14(13)19-16/h1-10H
InChIKeyKJQOUOSLEOQLHV-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-1,3-benzothiazole?
The IUPAC name of 2-quinolin-2-ylsulfanyl-1,3-benzothiazole (CID 5066855) is 2-quinolin-2-ylsulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-1,3-benzothiazole is c1ccc2nc(Sc3nc4ccccc4s3)ccc2c1.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-1,3-benzothiazole?
The InChIKey is KJQOUOSLEOQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S2/c1-2-6-12-11(5-1)9-10-15(17-12)20-16-18-13-7-3-4-8-14(13)19-16/h1-10H.
What are the key properties of 2-quinolin-2-ylsulfanyl-1,3-benzothiazole?
2-quinolin-2-ylsulfanyl-1,3-benzothiazole has a molecular weight of 294.40 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 5066855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).