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

C21H17NO2S — CID 46942760

IUPAC(4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17NO2S/c1-24-18-10-8-15(9-11-18)20(23)21-22-19(13-25-21)17-7-6-14-4-2-3-5-16(14)12-17/h2-13,20,23H,1H3
InChIKeyNYBDIOKMCJVDEH-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.05
Rot. Bonds4

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

(4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46942760) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol
PubChem CID46942760
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name(4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17NO2S/c1-24-18-10-8-15(9-11-18)20(23)21-22-19(13-25-21)17-7-6-14-4-2-3-5-16(14)12-17/h2-13,20,23H,1H3
InChIKeyNYBDIOKMCJVDEH-UHFFFAOYSA-N
XLogP5.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol (CID 46942760) is (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol is COc1ccc(C(O)c2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is NYBDIOKMCJVDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-24-18-10-8-15(9-11-18)20(23)21-22-19(13-25-21)17-7-6-14-4-2-3-5-16(14)12-17/h2-13,20,23H,1H3.
What are the key properties of (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol?
(4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 347.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-naphthalen-2-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46942760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).