3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide

C11H18N4OS — CID 80512781

IUPAC3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
SMILESCN(C)C(C)(C)COc1nnccc1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-11(2,15(3)4)7-16-10-8(9(12)17)5-6-13-14-10/h5-6H,7H2,1-4H3,(H2,12,17)
InChIKeyWSAJRPCMYQIJLR-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.83
Rot. Bonds5

About 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide

3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide (PubChem CID 80512781) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
PubChem CID80512781
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
SMILESCN(C)C(C)(C)COc1nnccc1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-11(2,15(3)4)7-16-10-8(9(12)17)5-6-13-14-10/h5-6H,7H2,1-4H3,(H2,12,17)
InChIKeyWSAJRPCMYQIJLR-UHFFFAOYSA-N
XLogP0.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.83
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-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
CID 80518091
3-(2-methylbutan-2-yloxy)pyridazine-4-carbothioamide
CID 80512855
3-(3-methoxypropoxy)pyridazine-4-carbothioamide
CID 80512547
3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
3-(2-propoxyethoxy)pyridazine-4-carbothioamide
CID 80512552
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708
5-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzenecarbothioamide
CID 79680217
3-(2-pyrrolidin-1-ylethoxy)pyridazine-4-carbothioamide
CID 80512741
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbothioamide
CID 80512658
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carbothioamide
CID 79672354
2-[2-(dimethylamino)-2-methylpropoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876340
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide (CID 80512781) is 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide is CN(C)C(C)(C)COc1nnccc1C(N)=S.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide?
The InChIKey is WSAJRPCMYQIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,15(3)4)7-16-10-8(9(12)17)5-6-13-14-10/h5-6H,7H2,1-4H3,(H2,12,17).
What are the key properties of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide?
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide has a molecular weight of 254.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide is sourced from PubChem (CID 80512781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).