1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide

C18H18N4O2S — CID 47068256

IUPAC1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(-c3nccs3)c2)ccc1=O
InChIInChI=1S/C18H18N4O2S/c1-2-3-10-22-16(23)8-7-15(21-22)17(24)20-14-6-4-5-13(12-14)18-19-9-11-25-18/h4-9,11-12H,2-3,10H2,1H3,(H,20,24)
InChIKeyLAQRNKOJLXQJFV-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.42
Rot. Bonds6

About 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 47068256) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
PubChem CID47068256
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cccc(-c3nccs3)c2)ccc1=O
InChIInChI=1S/C18H18N4O2S/c1-2-3-10-22-16(23)8-7-15(21-22)17(24)20-14-6-4-5-13(12-14)18-19-9-11-25-18/h4-9,11-12H,2-3,10H2,1H3,(H,20,24)
InChIKeyLAQRNKOJLXQJFV-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide (CID 47068256) is 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cccc(-c3nccs3)c2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is LAQRNKOJLXQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-3-10-22-16(23)8-7-15(21-22)17(24)20-14-6-4-5-13(12-14)18-19-9-11-25-18/h4-9,11-12H,2-3,10H2,1H3,(H,20,24).
What are the key properties of 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 47068256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).