2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H24N4O2S — CID 126935529

About 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935529) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 126935529
• Molecular Formula: C18H24N4O2S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.16
• IUPAC Name: 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• SMILES: O=c1cc2c(nn1C1CCC(NCC(O)c3cscn3)CC1)CCC2
• InChI: InChI=1S/C18H24N4O2S/c23-17(16-10-25-11-20-16)9-19-13-4-6-14(7-5-13)22-18(24)8-12-2-1-3-15(12)21-22/h8,10-11,13-14,17,19,23H,1-7,9H2
• InChIKey: JIBDAAHOOGTZTL-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The IUPAC name of 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935529) is 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

What is the SMILES notation for 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The canonical SMILES for 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(NCC(O)c3cscn3)CC1)CCC2.

What is the InChIKey of 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The InChIKey is JIBDAAHOOGTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-17(16-10-25-11-20-16)9-19-13-4-6-14(7-5-13)22-18(24)8-12-2-1-3-15(12)21-22/h8,10-11,13-14,17,19,23H,1-7,9H2.

What are the key properties of 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 360.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).