5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide

C11H16N4S2 — CID 61097477

IUPAC5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide
SMILESCc1nnc(N2CCSCC2)c(C(N)=S)c1C
InChIInChI=1S/C11H16N4S2/c1-7-8(2)13-14-11(9(7)10(12)16)15-3-5-17-6-4-15/h3-6H2,1-2H3,(H2,12,16)
InChIKeyYGWGLFQMIQRBTB-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.28
Rot. Bonds2

About 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide

5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide (PubChem CID 61097477) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide
PubChem CID61097477
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide
SMILESCc1nnc(N2CCSCC2)c(C(N)=S)c1C
InChIInChI=1S/C11H16N4S2/c1-7-8(2)13-14-11(9(7)10(12)16)15-3-5-17-6-4-15/h3-6H2,1-2H3,(H2,12,16)
InChIKeyYGWGLFQMIQRBTB-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 55156899
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 114536982
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 82747575
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbothioamide
CID 102781113
3-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
CID 114593343
5,6-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carbothioamide
CID 79928245
3-(4-chloropyrazol-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098476
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
2-methyl-4-thiomorpholin-4-yl-1H-imidazol-5-amine
CID 82234689
5,6-dimethyl-3-(1,4-oxazepan-4-yl)pyridazine-4-carboxylic acid
CID 55142314
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide (CID 61097477) is 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide is Cc1nnc(N2CCSCC2)c(C(N)=S)c1C.
What is the InChIKey of 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide?
The InChIKey is YGWGLFQMIQRBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7-8(2)13-14-11(9(7)10(12)16)15-3-5-17-6-4-15/h3-6H2,1-2H3,(H2,12,16).
What are the key properties of 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide?
5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide has a molecular weight of 268.41 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide is sourced from PubChem (CID 61097477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).