1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol

C15H12FN3OS — CID 46943852

IUPAC1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C15H12FN3OS/c1-15(20,11-3-2-4-12(16)5-11)14-19-13(8-21-14)10-6-17-9-18-7-10/h2-9,20H,1H3
InChIKeyRZQQLXQRHNCZGA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol

1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol (PubChem CID 46943852) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol
PubChem CID46943852
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C15H12FN3OS/c1-15(20,11-3-2-4-12(16)5-11)14-19-13(8-21-14)10-6-17-9-18-7-10/h2-9,20H,1H3
InChIKeyRZQQLXQRHNCZGA-UHFFFAOYSA-N
XLogP2.99
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol (CID 46943852) is 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol is CC(O)(c1cccc(F)c1)c1nc(-c2cncnc2)cs1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol?
The InChIKey is RZQQLXQRHNCZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-15(20,11-3-2-4-12(16)5-11)14-19-13(8-21-14)10-6-17-9-18-7-10/h2-9,20H,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol?
1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol has a molecular weight of 301.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 46943852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).