4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole

C19H13FN4S — CID 23000511

IUPAC4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cs1
InChIInChI=1S/C19H13FN4S/c1-12-23-17(11-25-12)19-22-10-16(13-2-4-15(20)5-3-13)18(24-19)14-6-8-21-9-7-14/h2-11H,1H3
InChIKeyDTNJCGSDISUMCI-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.78
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole

4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 23000511) has the molecular formula C19H13FN4S and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
PubChem CID23000511
Molecular FormulaC19H13FN4S
Molecular Weight348.41 g/mol
Exact Mass348.08
IUPAC Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cs1
InChIInChI=1S/C19H13FN4S/c1-12-23-17(11-25-12)19-22-10-16(13-2-4-15(20)5-3-13)18(24-19)14-6-8-21-9-7-14/h2-11H,1H3
InChIKeyDTNJCGSDISUMCI-UHFFFAOYSA-N
XLogP4.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole (CID 23000511) is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cs1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is DTNJCGSDISUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4S/c1-12-23-17(11-25-12)19-22-10-16(13-2-4-15(20)5-3-13)18(24-19)14-6-8-21-9-7-14/h2-11H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole?
4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 348.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 23000511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).