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

C13H9ClN2O2S — CID 107387544

IUPAC(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Oc2cnc3ccccc3c2)nc1Cl
InChIInChI=1S/C13H9ClN2O2S/c14-12-11(7-17)19-13(16-12)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-6,17H,7H2
InChIKeyNPUKGFJHMDDJGW-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.63
Rot. Bonds3

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

(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol (PubChem CID 107387544) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol
PubChem CID107387544
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Oc2cnc3ccccc3c2)nc1Cl
InChIInChI=1S/C13H9ClN2O2S/c14-12-11(7-17)19-13(16-12)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-6,17H,7H2
InChIKeyNPUKGFJHMDDJGW-UHFFFAOYSA-N
XLogP3.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol (CID 107387544) is (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol is OCc1sc(Oc2cnc3ccccc3c2)nc1Cl.
What is the InChIKey of (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol?
The InChIKey is NPUKGFJHMDDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-12-11(7-17)19-13(16-12)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-6,17H,7H2.
What are the key properties of (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol?
(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol has a molecular weight of 292.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 107387544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).