6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

C18H26N4OS — CID 126862625

IUPAC6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1csc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-13-12-24-17(19-13)21-9-7-14(8-10-21)11-22-16(23)6-5-15(20-22)18(2,3)4/h5-6,12,14H,7-11H2,1-4H3
InChIKeyJEHDVPJBPNMUQU-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.22
Rot. Bonds3

About 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862625) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862625
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1csc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C18H26N4OS/c1-13-12-24-17(19-13)21-9-7-14(8-10-21)11-22-16(23)6-5-15(20-22)18(2,3)4/h5-6,12,14H,7-11H2,1-4H3
InChIKeyJEHDVPJBPNMUQU-UHFFFAOYSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862625) is 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1csc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is JEHDVPJBPNMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-12-24-17(19-13)21-9-7-14(8-10-21)11-22-16(23)6-5-15(20-22)18(2,3)4/h5-6,12,14H,7-11H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 346.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).