4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

C17H10FN5S — CID 53492724

IUPAC4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C17H10FN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H
InChIKeyRXUKLQOVCQGKHS-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.86
Rot. Bonds3

About 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole

4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (PubChem CID 53492724) has the molecular formula C17H10FN5S and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
PubChem CID53492724
Molecular FormulaC17H10FN5S
Molecular Weight335.37 g/mol
Exact Mass335.06
IUPAC Name4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole
SMILESFc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1
InChIInChI=1S/C17H10FN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H
InChIKeyRXUKLQOVCQGKHS-UHFFFAOYSA-N
XLogP3.86
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole (CID 53492724) is 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is Fc1nc(-c2cccnc2)sc1-c1cccc(-c2ncccn2)n1.
What is the InChIKey of 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
The InChIKey is RXUKLQOVCQGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5S/c18-15-14(24-17(23-15)11-4-2-7-19-10-11)12-5-1-6-13(22-12)16-20-8-3-9-21-16/h1-10H.
What are the key properties of 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole?
4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole has a molecular weight of 335.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pyridin-3-yl-5-(6-pyrimidin-2-yl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 53492724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).