1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

C16H14FN5O2S — CID 55630949

IUPAC1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C16H14FN5O2S/c1-2-3-13-19-20-16(25-13)18-15(24)12-8-9-14(23)22(21-12)11-6-4-10(17)5-7-11/h4-9H,2-3H2,1H3,(H,18,20,24)
InChIKeySKJHPAKEIHWCOH-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 55630949) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
PubChem CID55630949
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C16H14FN5O2S/c1-2-3-13-19-20-16(25-13)18-15(24)12-8-9-14(23)22(21-12)11-6-4-10(17)5-7-11/h4-9H,2-3H2,1H3,(H,18,20,24)
InChIKeySKJHPAKEIHWCOH-UHFFFAOYSA-N
XLogP2.43
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (CID 55630949) is 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is CCCc1nnc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is SKJHPAKEIHWCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-2-3-13-19-20-16(25-13)18-15(24)12-8-9-14(23)22(21-12)11-6-4-10(17)5-7-11/h4-9H,2-3H2,1H3,(H,18,20,24).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 55630949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).