(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol

C20H16N2O2S — CID 46948094

IUPAC(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3cnc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-8-6-13(7-9-16)19(23)20-22-18(12-25-20)15-10-14-4-2-3-5-17(14)21-11-15/h2-12,19,23H,1H3
InChIKeyIMBMGVAHWRJEIW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.45
Rot. Bonds4

About (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol

(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46948094) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
PubChem CID46948094
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3cnc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-8-6-13(7-9-16)19(23)20-22-18(12-25-20)15-10-14-4-2-3-5-17(14)21-11-15/h2-12,19,23H,1H3
InChIKeyIMBMGVAHWRJEIW-UHFFFAOYSA-N
XLogP4.45
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol (CID 46948094) is (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol is COc1ccc(C(O)c2nc(-c3cnc4ccccc4c3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is IMBMGVAHWRJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-16-8-6-13(7-9-16)19(23)20-22-18(12-25-20)15-10-14-4-2-3-5-17(14)21-11-15/h2-12,19,23H,1H3.
What are the key properties of (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol?
(4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 348.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46948094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).