1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol

C20H21NO3S — CID 46944144

IUPAC1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOCc1cccc(-c2csc(C(C)(O)c3cccc(OC)c3)n2)c1
InChIInChI=1S/C20H21NO3S/c1-20(22,16-8-5-9-17(11-16)24-3)19-21-18(13-25-19)15-7-4-6-14(10-15)12-23-2/h4-11,13,22H,12H2,1-3H3
InChIKeyOWBPPGYPDAVVTR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds6

About 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol

1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 46944144) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID46944144
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOCc1cccc(-c2csc(C(C)(O)c3cccc(OC)c3)n2)c1
InChIInChI=1S/C20H21NO3S/c1-20(22,16-8-5-9-17(11-16)24-3)19-21-18(13-25-19)15-7-4-6-14(10-15)12-23-2/h4-11,13,22H,12H2,1-3H3
InChIKeyOWBPPGYPDAVVTR-UHFFFAOYSA-N
XLogP4.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol (CID 46944144) is 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol is COCc1cccc(-c2csc(C(C)(O)c3cccc(OC)c3)n2)c1.
What is the InChIKey of 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is OWBPPGYPDAVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-20(22,16-8-5-9-17(11-16)24-3)19-21-18(13-25-19)15-7-4-6-14(10-15)12-23-2/h4-11,13,22H,12H2,1-3H3.
What are the key properties of 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 355.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 46944144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).