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

C18H15FN6S — CID 10428980

IUPAC2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole
SMILESCCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1ncccc1F
InChIInChI=1S/C18H15FN6S/c1-2-12-10-14(18-22-7-9-26-18)23-24-15(12)11-25-8-6-21-17(25)16-13(19)4-3-5-20-16/h3-10H,2,11H2,1H3
InChIKeySFKBLJSNVUGLKL-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.61
Rot. Bonds5

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

2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole (PubChem CID 10428980) has the molecular formula C18H15FN6S and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole
PubChem CID10428980
Molecular FormulaC18H15FN6S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC Name2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole
SMILESCCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1ncccc1F
InChIInChI=1S/C18H15FN6S/c1-2-12-10-14(18-22-7-9-26-18)23-24-15(12)11-25-8-6-21-17(25)16-13(19)4-3-5-20-16/h3-10H,2,11H2,1H3
InChIKeySFKBLJSNVUGLKL-UHFFFAOYSA-N
XLogP3.61
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole (CID 10428980) is 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole is CCc1cc(-c2nccs2)nnc1Cn1ccnc1-c1ncccc1F.
What is the InChIKey of 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is SFKBLJSNVUGLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6S/c1-2-12-10-14(18-22-7-9-26-18)23-24-15(12)11-25-8-6-21-17(25)16-13(19)4-3-5-20-16/h3-10H,2,11H2,1H3.
What are the key properties of 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole?
2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 366.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-6-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 10428980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).