5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

C16H14FN3S2 — CID 8543475

IUPAC5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCCSc1ccc(-c2sc(-c3ccc(F)cc3)nc2C)nn1
InChIInChI=1S/C16H14FN3S2/c1-3-21-14-9-8-13(19-20-14)15-10(2)18-16(22-15)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyLXTUPUFMWDDTLR-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.83
Rot. Bonds4

About 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 8543475) has the molecular formula C16H14FN3S2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID8543475
Molecular FormulaC16H14FN3S2
Molecular Weight331.44 g/mol
Exact Mass331.06
IUPAC Name5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCCSc1ccc(-c2sc(-c3ccc(F)cc3)nc2C)nn1
InChIInChI=1S/C16H14FN3S2/c1-3-21-14-9-8-13(19-20-14)15-10(2)18-16(22-15)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyLXTUPUFMWDDTLR-UHFFFAOYSA-N
XLogP4.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (CID 8543475) is 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is CCSc1ccc(-c2sc(-c3ccc(F)cc3)nc2C)nn1.
What is the InChIKey of 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is LXTUPUFMWDDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S2/c1-3-21-14-9-8-13(19-20-14)15-10(2)18-16(22-15)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 8543475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).