1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

C21H23NO2S — CID 46942582

IUPAC1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCOc1cccc(C(C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)c1
InChIInChI=1S/C21H23NO2S/c1-14(2)15-7-5-8-16(11-15)19-13-25-20(22-19)21(3,23)17-9-6-10-18(12-17)24-4/h5-14,23H,1-4H3
InChIKeyBBDSOEGCNZOTKX-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.20
Rot. Bonds5

About 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 46942582) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID46942582
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCOc1cccc(C(C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)c1
InChIInChI=1S/C21H23NO2S/c1-14(2)15-7-5-8-16(11-15)19-13-25-20(22-19)21(3,23)17-9-6-10-18(12-17)24-4/h5-14,23H,1-4H3
InChIKeyBBDSOEGCNZOTKX-UHFFFAOYSA-N
XLogP5.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (CID 46942582) is 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is COc1cccc(C(C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is BBDSOEGCNZOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-14(2)15-7-5-8-16(11-15)19-13-25-20(22-19)21(3,23)17-9-6-10-18(12-17)24-4/h5-14,23H,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 353.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 46942582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).