2-(methylamino)quinoline-4-carbothioamide

C11H11N3S — CID 63886082

IUPAC2-(methylamino)quinoline-4-carbothioamide
SMILESCNc1cc(C(N)=S)c2ccccc2n1
InChIInChI=1S/C11H11N3S/c1-13-10-6-8(11(12)15)7-4-2-3-5-9(7)14-10/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyUJHWMFGQUUYFOJ-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.91
Rot. Bonds2

About 2-(methylamino)quinoline-4-carbothioamide

2-(methylamino)quinoline-4-carbothioamide (PubChem CID 63886082) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-(methylamino)quinoline-4-carbothioamide.

Molecular Properties

Compound Name2-(methylamino)quinoline-4-carbothioamide
PubChem CID63886082
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-(methylamino)quinoline-4-carbothioamide
SMILESCNc1cc(C(N)=S)c2ccccc2n1
InChIInChI=1S/C11H11N3S/c1-13-10-6-8(11(12)15)7-4-2-3-5-9(7)14-10/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyUJHWMFGQUUYFOJ-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)quinoline-4-carbothioamide
CID 63885506
2-(2-methylbutan-2-ylamino)quinoline-4-carbothioamide
CID 63885317
2-[(4-methylcyclohexyl)amino]quinoline-4-carbothioamide
CID 63885335
2-(2-iodoanilino)quinoline-4-carbothioamide
CID 63885519
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
2-[(1-methylcyclohexyl)amino]quinoline-4-carbothioamide
CID 63886115
2-[[2-(dimethylamino)-2-methylpropyl]amino]quinoline-4-carbothioamide
CID 63886284
2-(4-methoxybutylamino)quinoline-4-carbothioamide
CID 63886112
2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide
CID 63885150
2-[(3,3-dimethylcyclopentyl)amino]quinoline-4-carbothioamide
CID 114546697
3-[(4-carbamothioylquinolin-2-yl)amino]-N,N-dimethylpropanamide
CID 63886113
2-[(2-methoxycyclopentyl)amino]quinoline-4-carbothioamide
CID 63886118

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)quinoline-4-carbothioamide?
The IUPAC name of 2-(methylamino)quinoline-4-carbothioamide (CID 63886082) is 2-(methylamino)quinoline-4-carbothioamide.
What is the SMILES notation for 2-(methylamino)quinoline-4-carbothioamide?
The canonical SMILES for 2-(methylamino)quinoline-4-carbothioamide is CNc1cc(C(N)=S)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)quinoline-4-carbothioamide?
The InChIKey is UJHWMFGQUUYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-13-10-6-8(11(12)15)7-4-2-3-5-9(7)14-10/h2-6H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-(methylamino)quinoline-4-carbothioamide?
2-(methylamino)quinoline-4-carbothioamide has a molecular weight of 217.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)quinoline-4-carbothioamide is sourced from PubChem (CID 63886082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).