5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C17H12FN5S — CID 58416205

IUPAC5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2cnccc2F)n1
InChIInChI=1S/C17H12FN5S/c1-11-16(24-17(21-11)12-3-2-6-19-9-12)14-5-8-23(22-14)15-10-20-7-4-13(15)18/h2-10H,1H3
InChIKeyPWIJEJXVBGVBOJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.90
Rot. Bonds3

About 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416205) has the molecular formula C17H12FN5S and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416205
Molecular FormulaC17H12FN5S
Molecular Weight337.38 g/mol
Exact Mass337.08
IUPAC Name5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(-c2cnccc2F)n1
InChIInChI=1S/C17H12FN5S/c1-11-16(24-17(21-11)12-3-2-6-19-9-12)14-5-8-23(22-14)15-10-20-7-4-13(15)18/h2-10H,1H3
InChIKeyPWIJEJXVBGVBOJ-UHFFFAOYSA-N
XLogP3.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416205) is 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(-c2cnccc2F)n1.
What is the InChIKey of 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is PWIJEJXVBGVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5S/c1-11-16(24-17(21-11)12-3-2-6-19-9-12)14-5-8-23(22-14)15-10-20-7-4-13(15)18/h2-10H,1H3.
What are the key properties of 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 337.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluoro-3-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).