2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole

C19H17FN6S — CID 59646951

IUPAC2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
SMILESCCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3
InChIKeyJKWIWJJYQAOZHH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.86
Rot. Bonds6

About 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole

2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole (PubChem CID 59646951) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
PubChem CID59646951
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole
SMILESCCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3
InChIKeyJKWIWJJYQAOZHH-UHFFFAOYSA-N
XLogP3.86
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole (CID 59646951) is 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole is CCCc1nc(-c2nccs2)cnc1Cc1ccnn1-c1ncccc1F.
What is the InChIKey of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
The InChIKey is JKWIWJJYQAOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-2-4-15-16(23-12-17(25-15)19-22-9-10-27-19)11-13-6-8-24-26(13)18-14(20)5-3-7-21-18/h3,5-10,12H,2,4,11H2,1H3.
What are the key properties of 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole?
2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole has a molecular weight of 380.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-6-propylpyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 59646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).