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

C16H10N2S — CID 91408320

IUPAC3-quinolin-3-yl-1,2-benzothiazole
SMILESc1ccc2ncc(-c3nsc4ccccc34)cc2c1
InChIInChI=1S/C16H10N2S/c1-3-7-14-11(5-1)9-12(10-17-14)16-13-6-2-4-8-15(13)19-18-16/h1-10H
InChIKeyGMNGDRFUWIVTSB-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.51
Rot. Bonds1

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

3-quinolin-3-yl-1,2-benzothiazole (PubChem CID 91408320) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-quinolin-3-yl-1,2-benzothiazole.

Molecular Properties

Compound Name3-quinolin-3-yl-1,2-benzothiazole
PubChem CID91408320
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name3-quinolin-3-yl-1,2-benzothiazole
SMILESc1ccc2ncc(-c3nsc4ccccc34)cc2c1
InChIInChI=1S/C16H10N2S/c1-3-7-14-11(5-1)9-12(10-17-14)16-13-6-2-4-8-15(13)19-18-16/h1-10H
InChIKeyGMNGDRFUWIVTSB-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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Related Compounds

3-anthracen-9-ylquinoline
CID 170654314
2-quinolin-3-yl-1,3-benzothiazin-4-one
CID 59750384
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
2-quinolin-3-ylpyridin-3-ol
CID 11074961
3-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)quinoline;dihydrate
CID 144508583
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
CID 118564017
3-(7-bromo-1H-indazol-3-yl)quinoline
CID 90489640
2-quinolin-3-ylaniline
CID 4134401
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
3-quinolin-3-yl-2-quinolin-5-ylquinoline
CID 173132406
3-pyridin-4-ylquinoline
CID 10081720
3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)quinoline
CID 167411808

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yl-1,2-benzothiazole?
The IUPAC name of 3-quinolin-3-yl-1,2-benzothiazole (CID 91408320) is 3-quinolin-3-yl-1,2-benzothiazole.
What is the SMILES notation for 3-quinolin-3-yl-1,2-benzothiazole?
The canonical SMILES for 3-quinolin-3-yl-1,2-benzothiazole is c1ccc2ncc(-c3nsc4ccccc34)cc2c1.
What is the InChIKey of 3-quinolin-3-yl-1,2-benzothiazole?
The InChIKey is GMNGDRFUWIVTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c1-3-7-14-11(5-1)9-12(10-17-14)16-13-6-2-4-8-15(13)19-18-16/h1-10H.
What are the key properties of 3-quinolin-3-yl-1,2-benzothiazole?
3-quinolin-3-yl-1,2-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 3-quinolin-3-yl-1,2-benzothiazole is sourced from PubChem (CID 91408320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).