4-(dimethylamino)quinoline-3-carbothioamide

C12H13N3S — CID 43669612

IUPAC4-(dimethylamino)quinoline-3-carbothioamide
SMILESCN(C)c1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C12H13N3S/c1-15(2)11-8-5-3-4-6-10(8)14-7-9(11)12(13)16/h3-7H,1-2H3,(H2,13,16)
InChIKeyFHFMWSUHSKDAJW-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.93
Rot. Bonds2

About 4-(dimethylamino)quinoline-3-carbothioamide

4-(dimethylamino)quinoline-3-carbothioamide (PubChem CID 43669612) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(dimethylamino)quinoline-3-carbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)quinoline-3-carbothioamide
PubChem CID43669612
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-(dimethylamino)quinoline-3-carbothioamide
SMILESCN(C)c1c(C(N)=S)cnc2ccccc12
InChIInChI=1S/C12H13N3S/c1-15(2)11-8-5-3-4-6-10(8)14-7-9(11)12(13)16/h3-7H,1-2H3,(H2,13,16)
InChIKeyFHFMWSUHSKDAJW-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
4-[methyl(thiophen-3-ylmethyl)amino]quinoline-3-carbothioamide
CID 43669662
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbothioamide
CID 62860117
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
CID 43669639
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-(4-methylanilino)quinoline-3-carbothioamide
CID 43669603

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)quinoline-3-carbothioamide?
The IUPAC name of 4-(dimethylamino)quinoline-3-carbothioamide (CID 43669612) is 4-(dimethylamino)quinoline-3-carbothioamide.
What is the SMILES notation for 4-(dimethylamino)quinoline-3-carbothioamide?
The canonical SMILES for 4-(dimethylamino)quinoline-3-carbothioamide is CN(C)c1c(C(N)=S)cnc2ccccc12.
What is the InChIKey of 4-(dimethylamino)quinoline-3-carbothioamide?
The InChIKey is FHFMWSUHSKDAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-15(2)11-8-5-3-4-6-10(8)14-7-9(11)12(13)16/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 4-(dimethylamino)quinoline-3-carbothioamide?
4-(dimethylamino)quinoline-3-carbothioamide has a molecular weight of 231.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)quinoline-3-carbothioamide is sourced from PubChem (CID 43669612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).