5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide

C14H24N4O2S — CID 80511343

IUPAC5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide
SMILESCCc1nnc(NCCOCCOC)c(C(N)=S)c1CC
InChIInChI=1S/C14H24N4O2S/c1-4-10-11(5-2)17-18-14(12(10)13(15)21)16-6-7-20-9-8-19-3/h4-9H2,1-3H3,(H2,15,21)(H,16,18)
InChIKeyROPSPGNITZHRQS-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.31
Rot. Bonds10

About 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide

5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide (PubChem CID 80511343) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide
PubChem CID80511343
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide
SMILESCCc1nnc(NCCOCCOC)c(C(N)=S)c1CC
InChIInChI=1S/C14H24N4O2S/c1-4-10-11(5-2)17-18-14(12(10)13(15)21)16-6-7-20-9-8-19-3/h4-9H2,1-3H3,(H2,15,21)(H,16,18)
InChIKeyROPSPGNITZHRQS-UHFFFAOYSA-N
XLogP1.31
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
CID 80511514
3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098457
5,6-diethyl-3-(pentan-2-ylamino)pyridazine-4-carbothioamide
CID 80510877
5,6-diethyl-3-(oxolan-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80512337
5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
5,6-diethyl-3-(thian-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80595351
3-[(4-bromothiophen-2-yl)methylamino]-5,6-diethylpyridazine-4-carbothioamide
CID 80511741
4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053930
4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755406
5,6-diethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbothioamide
CID 80511616
5,6-diethyl-3-(2-methylsulfonylethylamino)pyridazine-4-carboxylic acid
CID 80516453
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
CID 104559843

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide (CID 80511343) is 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide is CCc1nnc(NCCOCCOC)c(C(N)=S)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide?
The InChIKey is ROPSPGNITZHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-10-11(5-2)17-18-14(12(10)13(15)21)16-6-7-20-9-8-19-3/h4-9H2,1-3H3,(H2,15,21)(H,16,18).
What are the key properties of 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide?
5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide has a molecular weight of 312.44 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).