6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide

C12H11F3N4O2S — CID 43068601

IUPAC6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O
InChIInChI=1S/C12H11F3N4O2S/c1-2-5-19-9(20)4-3-7(18-19)10(21)17-11-16-8(6-22-11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17,21)
InChIKeyKIAWXMWIDLYZPO-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.38
Rot. Bonds4

About 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide (PubChem CID 43068601) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
PubChem CID43068601
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC Name6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O
InChIInChI=1S/C12H11F3N4O2S/c1-2-5-19-9(20)4-3-7(18-19)10(21)17-11-16-8(6-22-11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17,21)
InChIKeyKIAWXMWIDLYZPO-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide (CID 43068601) is 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The InChIKey is KIAWXMWIDLYZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-2-5-19-9(20)4-3-7(18-19)10(21)17-11-16-8(6-22-11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17,21).
What are the key properties of 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 43068601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).