5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C21H18FN5S — CID 52941640

IUPAC5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccc(F)cc3)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C21H18FN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-6-8-15(22)9-7-14)26-20(27-18)16-5-3-4-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25)
InChIKeyCLYXGFONNACQCT-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.29
Rot. Bonds6

About 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52941640) has the molecular formula C21H18FN5S and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID52941640
Molecular FormulaC21H18FN5S
Molecular Weight391.48 g/mol
Exact Mass391.13
IUPAC Name5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccc(F)cc3)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C21H18FN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-6-8-15(22)9-7-14)26-20(27-18)16-5-3-4-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25)
InChIKeyCLYXGFONNACQCT-UHFFFAOYSA-N
XLogP5.29
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52941640) is 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccc(F)cc3)nc(-c3ccccn3)n2)s1.
What is the InChIKey of 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is CLYXGFONNACQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-6-8-15(22)9-7-14)26-20(27-18)16-5-3-4-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25).
What are the key properties of 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 391.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52941640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).