4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine

C18H13FN4OS — CID 118467593

IUPAC4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cnnc(C)c1-c1ccc(Oc2nccc3ncsc23)cc1F
InChIInChI=1S/C18H13FN4OS/c1-10-8-22-23-11(2)16(10)13-4-3-12(7-14(13)19)24-18-17-15(5-6-20-18)21-9-25-17/h3-9H,1-2H3
InChIKeyXGDOHUQPPUONCQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.70
Rot. Bonds3

About 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine

4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 118467593) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID118467593
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cnnc(C)c1-c1ccc(Oc2nccc3ncsc23)cc1F
InChIInChI=1S/C18H13FN4OS/c1-10-8-22-23-11(2)16(10)13-4-3-12(7-14(13)19)24-18-17-15(5-6-20-18)21-9-25-17/h3-9H,1-2H3
InChIKeyXGDOHUQPPUONCQ-UHFFFAOYSA-N
XLogP4.70
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine (CID 118467593) is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine is Cc1cnnc(C)c1-c1ccc(Oc2nccc3ncsc23)cc1F.
What is the InChIKey of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is XGDOHUQPPUONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-10-8-22-23-11(2)16(10)13-4-3-12(7-14(13)19)24-18-17-15(5-6-20-18)21-9-25-17/h3-9H,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine?
4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 352.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 118467593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).