[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol

C17H14FNO2S — CID 46943926

IUPAC[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C17H14FNO2S/c1-21-14-7-3-5-12(9-14)16(20)17-19-15(10-22-17)11-4-2-6-13(18)8-11/h2-10,16,20H,1H3
InChIKeyDETLZPFEYTZLQV-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.04
Rot. Bonds4

About [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol

[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol (PubChem CID 46943926) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
PubChem CID46943926
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C17H14FNO2S/c1-21-14-7-3-5-12(9-14)16(20)17-19-15(10-22-17)11-4-2-6-13(18)8-11/h2-10,16,20H,1H3
InChIKeyDETLZPFEYTZLQV-UHFFFAOYSA-N
XLogP4.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol?
The IUPAC name of [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol (CID 46943926) is [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol.
What is the SMILES notation for [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol?
The canonical SMILES for [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2nc(-c3cccc(F)c3)cs2)c1.
What is the InChIKey of [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol?
The InChIKey is DETLZPFEYTZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-21-14-7-3-5-12(9-14)16(20)17-19-15(10-22-17)11-4-2-6-13(18)8-11/h2-10,16,20H,1H3.
What are the key properties of [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol?
[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol has a molecular weight of 315.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanol is sourced from PubChem (CID 46943926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).