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

C19H18FNO3S — CID 46948114

IUPAC1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1
InChIInChI=1S/C19H18FNO3S/c1-19(22,12-5-4-6-14(9-12)23-2)18-21-16(11-25-18)15-8-7-13(20)10-17(15)24-3/h4-11,22H,1-3H3
InChIKeyRTGWKJDNDUEOME-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.22
Rot. Bonds5

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

1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol (PubChem CID 46948114) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
PubChem CID46948114
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1
InChIInChI=1S/C19H18FNO3S/c1-19(22,12-5-4-6-14(9-12)23-2)18-21-16(11-25-18)15-8-7-13(20)10-17(15)24-3/h4-11,22H,1-3H3
InChIKeyRTGWKJDNDUEOME-UHFFFAOYSA-N
XLogP4.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
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-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol (CID 46948114) is 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)c2nc(-c3ccc(F)cc3OC)cs2)c1.
What is the InChIKey of 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
The InChIKey is RTGWKJDNDUEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-19(22,12-5-4-6-14(9-12)23-2)18-21-16(11-25-18)15-8-7-13(20)10-17(15)24-3/h4-11,22H,1-3H3.
What are the key properties of 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol?
1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol has a molecular weight of 359.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 46948114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).