3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide

C11H18N4S — CID 106549298

IUPAC3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1cc(C)cnn1
InChIInChI=1S/C11H18N4S/c1-4-15(7-9(3)11(12)16)10-5-8(2)6-13-14-10/h5-6,9H,4,7H2,1-3H3,(H2,12,16)
InChIKeyPAATZHVXWFXSSS-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.53
Rot. Bonds5

About 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide

3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide (PubChem CID 106549298) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
PubChem CID106549298
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1cc(C)cnn1
InChIInChI=1S/C11H18N4S/c1-4-15(7-9(3)11(12)16)10-5-8(2)6-13-14-10/h5-6,9H,4,7H2,1-3H3,(H2,12,16)
InChIKeyPAATZHVXWFXSSS-UHFFFAOYSA-N
XLogP1.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106549390
3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
CID 106549306
3-[(5-methylpyridazin-3-yl)-propan-2-ylamino]propanethioamide
CID 106549301
3-(N-ethylanilino)-2-methylpropanethioamide
CID 43367738
3-[ethyl-(5-methylpyridazin-3-yl)amino]propanenitrile
CID 106549278
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
CID 104730009
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanethioamide
CID 106795812
3-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropanethioamide
CID 54987523
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
CID 106550679
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 105366621

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide (CID 106549298) is 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)c1cc(C)cnn1.
What is the InChIKey of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide?
The InChIKey is PAATZHVXWFXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-4-15(7-9(3)11(12)16)10-5-8(2)6-13-14-10/h5-6,9H,4,7H2,1-3H3,(H2,12,16).
What are the key properties of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide?
3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide has a molecular weight of 238.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 106549298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).