2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole

C15H18F3N5S — CID 139027048

IUPAC2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)s1
InChIInChI=1S/C15H18F3N5S/c1-10-12(24-11(2)19-10)9-22-5-7-23(8-6-22)14-4-3-13(20-21-14)15(16,17)18/h3-4H,5-9H2,1-2H3
InChIKeyAICLFKLJAYDSDF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.89
Rot. Bonds3

About 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 139027048) has the molecular formula C15H18F3N5S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID139027048
Molecular FormulaC15H18F3N5S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)s1
InChIInChI=1S/C15H18F3N5S/c1-10-12(24-11(2)19-10)9-22-5-7-23(8-6-22)14-4-3-13(20-21-14)15(16,17)18/h3-4H,5-9H2,1-2H3
InChIKeyAICLFKLJAYDSDF-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 139027048) is 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)nn3)CC2)s1.
What is the InChIKey of 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AICLFKLJAYDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5S/c1-10-12(24-11(2)19-10)9-22-5-7-23(8-6-22)14-4-3-13(20-21-14)15(16,17)18/h3-4H,5-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 357.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 139027048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).