2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide

C18H24N4O2S — CID 16673452

IUPAC2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)s1
InChIInChI=1S/C18H24N4O2S/c1-12-7-8-16(25-12)15-9-14(19)18(24)22(21-15)11-17(23)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11,19H2,1H3,(H,20,23)
InChIKeyFMURDSHUUYRXDM-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.56
Rot. Bonds5

About 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 16673452) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID16673452
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)s1
InChIInChI=1S/C18H24N4O2S/c1-12-7-8-16(25-12)15-9-14(19)18(24)22(21-15)11-17(23)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11,19H2,1H3,(H,20,23)
InChIKeyFMURDSHUUYRXDM-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide (CID 16673452) is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide is Cc1ccc(-c2cc(N)c(=O)n(CC(=O)NCC3CCCCC3)n2)s1.
What is the InChIKey of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is FMURDSHUUYRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-7-8-16(25-12)15-9-14(19)18(24)22(21-15)11-17(23)20-10-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11,19H2,1H3,(H,20,23).
What are the key properties of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide?
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 16673452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).