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

C14H10FN3OS — CID 46948098

IUPAC(4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H10FN3OS/c15-11-3-1-9(2-4-11)13(19)14-18-12(7-20-14)10-5-16-8-17-6-10/h1-8,13,19H
InChIKeyUTDLVWWAEQDZQH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.82
Rot. Bonds3

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

(4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol (PubChem CID 46948098) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
PubChem CID46948098
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name(4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H10FN3OS/c15-11-3-1-9(2-4-11)13(19)14-18-12(7-20-14)10-5-16-8-17-6-10/h1-8,13,19H
InChIKeyUTDLVWWAEQDZQH-UHFFFAOYSA-N
XLogP2.82
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol (CID 46948098) is (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol is OC(c1ccc(F)cc1)c1nc(-c2cncnc2)cs1.
What is the InChIKey of (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is UTDLVWWAEQDZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-11-3-1-9(2-4-11)13(19)14-18-12(7-20-14)10-5-16-8-17-6-10/h1-8,13,19H.
What are the key properties of (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol?
(4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 287.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46948098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).