N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C18H24N4O2S — CID 71840149

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCCC3=CCCCC3)nc(C)c2s1
InChIInChI=1S/C18H24N4O2S/c1-3-15-20-16-17(25-15)12(2)21-22(18(16)24)11-14(23)19-10-9-13-7-5-4-6-8-13/h7H,3-6,8-11H2,1-2H3,(H,19,23)
InChIKeyKSOLXJGKDRLTQX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840149) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840149
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCCC3=CCCCC3)nc(C)c2s1
InChIInChI=1S/C18H24N4O2S/c1-3-15-20-16-17(25-15)12(2)21-22(18(16)24)11-14(23)19-10-9-13-7-5-4-6-8-13/h7H,3-6,8-11H2,1-2H3,(H,19,23)
InChIKeyKSOLXJGKDRLTQX-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840149) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is CCc1nc2c(=O)n(CC(=O)NCCC3=CCCCC3)nc(C)c2s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is KSOLXJGKDRLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-15-20-16-17(25-15)12(2)21-22(18(16)24)11-14(23)19-10-9-13-7-5-4-6-8-13/h7H,3-6,8-11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).