4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide

C14H15N3S — CID 62410326

IUPAC4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide
SMILESCC1CC1Nc1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C14H15N3S/c1-8-6-12(8)17-13-9-4-2-3-5-11(9)16-7-10(13)14(15)18/h2-5,7-8,12H,6H2,1H3,(H2,15,18)(H,16,17)
InChIKeyABQMDXCEDHSTNK-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.69
Rot. Bonds3

About 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide

4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide (PubChem CID 62410326) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide
PubChem CID62410326
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide
SMILESCC1CC1Nc1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C14H15N3S/c1-8-6-12(8)17-13-9-4-2-3-5-11(9)16-7-10(13)14(15)18/h2-5,7-8,12H,6H2,1H3,(H2,15,18)(H,16,17)
InChIKeyABQMDXCEDHSTNK-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.69
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

4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
CID 103963223
4-(4-methylanilino)quinoline-3-carbothioamide
CID 43669603
4-(butan-2-ylamino)quinoline-3-carbothioamide
CID 43669556
4-(2-methylsulfanylethylamino)quinoline-3-carbothioamide
CID 63960019
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 62409950
4-(2-fluoroanilino)quinoline-3-carbothioamide
CID 43669596
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739
4-[2-(methanesulfonamido)ethylamino]quinoline-3-carbothioamide
CID 43669673
4-(3-bromoanilino)quinoline-3-carbothioamide
CID 43669593
4-(2,2,3,3-tetrafluoropropylamino)quinoline-3-carbothioamide
CID 106292946

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide?
The IUPAC name of 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide (CID 62410326) is 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide.
What is the SMILES notation for 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide?
The canonical SMILES for 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide is CC1CC1Nc1c(C(N)=S)cnc2ccccc12.
What is the InChIKey of 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide?
The InChIKey is ABQMDXCEDHSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8-6-12(8)17-13-9-4-2-3-5-11(9)16-7-10(13)14(15)18/h2-5,7-8,12H,6H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide?
4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide has a molecular weight of 257.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide is sourced from PubChem (CID 62410326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).