2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide

C16H22N4S — CID 63886284

IUPAC2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide
SMILESCN(C)C(C)(C)CNc1cc(C(N)=S)c2ccccc2n1
InChIInChI=1S/C16H22N4S/c1-16(2,20(3)4)10-18-14-9-12(15(17)21)11-7-5-6-8-13(11)19-14/h5-9H,10H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeySUSJVILBFSMJJZ-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.62
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide

2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide (PubChem CID 63886284) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide
PubChem CID63886284
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide
SMILESCN(C)C(C)(C)CNc1cc(C(N)=S)c2ccccc2n1
InChIInChI=1S/C16H22N4S/c1-16(2,20(3)4)10-18-14-9-12(15(17)21)11-7-5-6-8-13(11)19-14/h5-9H,10H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeySUSJVILBFSMJJZ-UHFFFAOYSA-N
XLogP2.62
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide (CID 63886284) is 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide is CN(C)C(C)(C)CNc1cc(C(N)=S)c2ccccc2n1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide?
The InChIKey is SUSJVILBFSMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-16(2,20(3)4)10-18-14-9-12(15(17)21)11-7-5-6-8-13(11)19-14/h5-9H,10H2,1-4H3,(H2,17,21)(H,18,19).
What are the key properties of 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide?
2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide has a molecular weight of 302.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide is sourced from PubChem (CID 63886284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).