2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one

C15H18F3N5OS — CID 163351748

IUPAC2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)ccc1=O
InChIInChI=1S/C15H18F3N5OS/c1-10(2)23-13(24)4-3-12(20-23)21-5-7-22(8-6-21)14-19-11(9-25-14)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXTMHTJBNARLAKB-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.63
Rot. Bonds3

About 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one

2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one (PubChem CID 163351748) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one
PubChem CID163351748
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)ccc1=O
InChIInChI=1S/C15H18F3N5OS/c1-10(2)23-13(24)4-3-12(20-23)21-5-7-22(8-6-21)14-19-11(9-25-14)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXTMHTJBNARLAKB-UHFFFAOYSA-N
XLogP2.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one (CID 163351748) is 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one is CC(C)n1nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)ccc1=O.
What is the InChIKey of 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is XTMHTJBNARLAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-10(2)23-13(24)4-3-12(20-23)21-5-7-22(8-6-21)14-19-11(9-25-14)15(16,17)18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one?
2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 373.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163351748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).