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

C17H24N4O2S — CID 71840130

IUPACN-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCC3CCCCC3)nc(C)c2s1
InChIInChI=1S/C17H24N4O2S/c1-3-14-19-15-16(24-14)11(2)20-21(17(15)23)10-13(22)18-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,18,22)
InChIKeyDSXYSTCUUVQHMG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.42
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840130) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840130
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCC3CCCCC3)nc(C)c2s1
InChIInChI=1S/C17H24N4O2S/c1-3-14-19-15-16(24-14)11(2)20-21(17(15)23)10-13(22)18-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,18,22)
InChIKeyDSXYSTCUUVQHMG-UHFFFAOYSA-N
XLogP2.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840130) is N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is CCc1nc2c(=O)n(CC(=O)NCC3CCCCC3)nc(C)c2s1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is DSXYSTCUUVQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-14-19-15-16(24-14)11(2)20-21(17(15)23)10-13(22)18-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).