quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone

C12H7N3OS — CID 105121566

IUPACquinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)c1cnsn1
InChIInChI=1S/C12H7N3OS/c16-12(11-7-14-17-15-11)9-3-4-10-8(6-9)2-1-5-13-10/h1-7H
InChIKeyGPDFONQLZQZRQI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.32
Rot. Bonds2

About quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone

quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105121566) has the molecular formula C12H7N3OS and a molecular weight of 241.28 g/mol. Its IUPAC name is quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Namequinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105121566
Molecular FormulaC12H7N3OS
Molecular Weight241.28 g/mol
Exact Mass241.03
IUPAC Namequinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1ccc2ncccc2c1)c1cnsn1
InChIInChI=1S/C12H7N3OS/c16-12(11-7-14-17-15-11)9-3-4-10-8(6-9)2-1-5-13-10/h1-7H
InChIKeyGPDFONQLZQZRQI-UHFFFAOYSA-N
XLogP2.32
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
ethane;quinoline-6-carboxylic acid
CID 91364452
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
CID 116585498
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone (CID 105121566) is quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone is O=C(c1ccc2ncccc2c1)c1cnsn1.
What is the InChIKey of quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is GPDFONQLZQZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3OS/c16-12(11-7-14-17-15-11)9-3-4-10-8(6-9)2-1-5-13-10/h1-7H.
What are the key properties of quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone?
quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 241.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).