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

C16H11F2NOS — CID 46943788

IUPAC(4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C16H11F2NOS/c17-12-6-4-10(5-7-12)15(20)16-19-14(9-21-16)11-2-1-3-13(18)8-11/h1-9,15,20H
InChIKeyIRYKWVYZGZIZMG-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.17
Rot. Bonds3

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

(4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 46943788) has the molecular formula C16H11F2NOS and a molecular weight of 303.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
PubChem CID46943788
Molecular FormulaC16H11F2NOS
Molecular Weight303.33 g/mol
Exact Mass303.05
IUPAC Name(4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C16H11F2NOS/c17-12-6-4-10(5-7-12)15(20)16-19-14(9-21-16)11-2-1-3-13(18)8-11/h1-9,15,20H
InChIKeyIRYKWVYZGZIZMG-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol (CID 46943788) is (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol is OC(c1ccc(F)cc1)c1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is IRYKWVYZGZIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NOS/c17-12-6-4-10(5-7-12)15(20)16-19-14(9-21-16)11-2-1-3-13(18)8-11/h1-9,15,20H.
What are the key properties of (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol?
(4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 303.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46943788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).