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

C17H24N4O2S — CID 71840089

IUPACN-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C17H24N4O2S/c1-10(2)16-19-14-15(24-16)11(3)20-21(17(14)23)9-13(22)18-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,18,22)
InChIKeyYPRZZBZISUGECC-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.73
Rot. Bonds4

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

N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840089) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840089
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C17H24N4O2S/c1-10(2)16-19-14-15(24-16)11(3)20-21(17(14)23)9-13(22)18-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,18,22)
InChIKeyYPRZZBZISUGECC-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840089) is N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NC2CCCCC2)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is YPRZZBZISUGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10(2)16-19-14-15(24-16)11(3)20-21(17(14)23)9-13(22)18-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).