6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

C19H28N4OS — CID 126862618

IUPAC6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)sc1C
InChIInChI=1S/C19H28N4OS/c1-13-14(2)25-18(20-13)22-10-8-15(9-11-22)12-23-17(24)7-6-16(21-23)19(3,4)5/h6-7,15H,8-12H2,1-5H3
InChIKeyYOFWPMDGLNLPHO-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.53
Rot. Bonds3

About 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862618) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862618
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)sc1C
InChIInChI=1S/C19H28N4OS/c1-13-14(2)25-18(20-13)22-10-8-15(9-11-22)12-23-17(24)7-6-16(21-23)19(3,4)5/h6-7,15H,8-12H2,1-5H3
InChIKeyYOFWPMDGLNLPHO-UHFFFAOYSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.53
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-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862618) is 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1nc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)sc1C.
What is the InChIKey of 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is YOFWPMDGLNLPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13-14(2)25-18(20-13)22-10-8-15(9-11-22)12-23-17(24)7-6-16(21-23)19(3,4)5/h6-7,15H,8-12H2,1-5H3.
What are the key properties of 6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 360.53 g/mol, XLogP of 3.53, 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-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).