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

C19H17FN6S — CID 10429863

IUPAC2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole
SMILESCCCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C19H17FN6S/c1-2-4-13-11-15(19-22-8-10-27-19)24-25-16(13)12-26-9-7-21-18(26)14-5-3-6-17(20)23-14/h3,5-11H,2,4,12H2,1H3
InChIKeyOSZONPVQLSYEQK-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.00
Rot. Bonds6

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

2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole (PubChem CID 10429863) has the molecular formula C19H17FN6S and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole
PubChem CID10429863
Molecular FormulaC19H17FN6S
Molecular Weight380.45 g/mol
Exact Mass380.12
IUPAC Name2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole
SMILESCCCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C19H17FN6S/c1-2-4-13-11-15(19-22-8-10-27-19)24-25-16(13)12-26-9-7-21-18(26)14-5-3-6-17(20)23-14/h3,5-11H,2,4,12H2,1H3
InChIKeyOSZONPVQLSYEQK-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole (CID 10429863) is 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole is CCCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1cccc(F)n1.
What is the InChIKey of 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole?
The InChIKey is OSZONPVQLSYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6S/c1-2-4-13-11-15(19-22-8-10-27-19)24-25-16(13)12-26-9-7-21-18(26)14-5-3-6-17(20)23-14/h3,5-11H,2,4,12H2,1H3.
What are the key properties of 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole?
2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole has a molecular weight of 380.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 10429863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).