(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol

C12H9N3O2S — CID 103045410

IUPAC(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol
SMILESOCc1nnc(Oc2cccc3ncccc23)s1
InChIInChI=1S/C12H9N3O2S/c16-7-11-14-15-12(18-11)17-10-5-1-4-9-8(10)3-2-6-13-9/h1-6,16H,7H2
InChIKeyXVWTZVKCAQAKME-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.37
Rot. Bonds3

About (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol

(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol (PubChem CID 103045410) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol
PubChem CID103045410
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol
SMILESOCc1nnc(Oc2cccc3ncccc23)s1
InChIInChI=1S/C12H9N3O2S/c16-7-11-14-15-12(18-11)17-10-5-1-4-9-8(10)3-2-6-13-9/h1-6,16H,7H2
InChIKeyXVWTZVKCAQAKME-UHFFFAOYSA-N
XLogP2.37
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol?
The IUPAC name of (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol (CID 103045410) is (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol.
What is the SMILES notation for (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol?
The canonical SMILES for (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol is OCc1nnc(Oc2cccc3ncccc23)s1.
What is the InChIKey of (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol?
The InChIKey is XVWTZVKCAQAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-7-11-14-15-12(18-11)17-10-5-1-4-9-8(10)3-2-6-13-9/h1-6,16H,7H2.
What are the key properties of (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol?
(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol has a molecular weight of 259.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methanol is sourced from PubChem (CID 103045410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).