N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

C17H22N4O3S — CID 53136260

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)NCCC3=CCCCC3)c(=O)c21
InChIInChI=1S/C17H22N4O3S/c1-20-15(23)11-25-13-9-19-21(17(24)16(13)20)10-14(22)18-8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10-11H2,1H3,(H,18,22)
InChIKeyKPVXZKBJGPQLNI-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136260) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136260
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)NCCC3=CCCCC3)c(=O)c21
InChIInChI=1S/C17H22N4O3S/c1-20-15(23)11-25-13-9-19-21(17(24)16(13)20)10-14(22)18-8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10-11H2,1H3,(H,18,22)
InChIKeyKPVXZKBJGPQLNI-UHFFFAOYSA-N
XLogP1.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 2138499
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methylpyridazino[4,5-b][1,4]thiazine-3,5-dione
CID 53136254
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53008144
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882029
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53008115
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136524
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136260) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is CN1C(=O)CSc2cnn(CC(=O)NCCC3=CCCCC3)c(=O)c21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is KPVXZKBJGPQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20-15(23)11-25-13-9-19-21(17(24)16(13)20)10-14(22)18-8-7-12-5-3-2-4-6-12/h5,9H,2-4,6-8,10-11H2,1H3,(H,18,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.32, 5 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-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).