2-quinolin-3-yl-1,3,4-thiadiazole

C11H7N3S — CID 54232464

IUPAC2-quinolin-3-yl-1,3,4-thiadiazole
SMILESc1ccc2ncc(-c3nncs3)cc2c1
InChIInChI=1S/C11H7N3S/c1-2-4-10-8(3-1)5-9(6-12-10)11-14-13-7-15-11/h1-7H
InChIKeyDAVMXRDAYSQBFX-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.75
Rot. Bonds1

About 2-quinolin-3-yl-1,3,4-thiadiazole

2-quinolin-3-yl-1,3,4-thiadiazole (PubChem CID 54232464) has the molecular formula C11H7N3S and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-quinolin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-quinolin-3-yl-1,3,4-thiadiazole
PubChem CID54232464
Molecular FormulaC11H7N3S
Molecular Weight213.27 g/mol
Exact Mass213.04
IUPAC Name2-quinolin-3-yl-1,3,4-thiadiazole
SMILESc1ccc2ncc(-c3nncs3)cc2c1
InChIInChI=1S/C11H7N3S/c1-2-4-10-8(3-1)5-9(6-12-10)11-14-13-7-15-11/h1-7H
InChIKeyDAVMXRDAYSQBFX-UHFFFAOYSA-N
XLogP2.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-quinolin-3-yl-1,3,4-thiadiazole (CID 54232464) is 2-quinolin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-quinolin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-quinolin-3-yl-1,3,4-thiadiazole is c1ccc2ncc(-c3nncs3)cc2c1.
What is the InChIKey of 2-quinolin-3-yl-1,3,4-thiadiazole?
The InChIKey is DAVMXRDAYSQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S/c1-2-4-10-8(3-1)5-9(6-12-10)11-14-13-7-15-11/h1-7H.
What are the key properties of 2-quinolin-3-yl-1,3,4-thiadiazole?
2-quinolin-3-yl-1,3,4-thiadiazole has a molecular weight of 213.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 54232464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).