6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide

C13H22N4S — CID 103189001

IUPAC6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)C(C)CN(C)C
InChIInChI=1S/C13H22N4S/c1-5-17(10(2)9-16(3)4)12-8-6-7-11(15-12)13(14)18/h6-8,10H,5,9H2,1-4H3,(H2,14,18)
InChIKeyDZXJPUMRBIVTLT-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.49
Rot. Bonds6

About 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide

6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide (PubChem CID 103189001) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide
PubChem CID103189001
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)C(C)CN(C)C
InChIInChI=1S/C13H22N4S/c1-5-17(10(2)9-16(3)4)12-8-6-7-11(15-12)13(14)18/h6-8,10H,5,9H2,1-4H3,(H2,14,18)
InChIKeyDZXJPUMRBIVTLT-UHFFFAOYSA-N
XLogP1.49
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.49
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

N-(pyridin-2-yl)pyridine-2-carbothioamide
CID 750538
(6-Methylpyridin-2-yl)thiourea
CID 685983
N,N'-Bis(6-methyl-2-pyridinyl)thiourea
CID 3003754
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Methylpyridin-2-yl)-4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazine
CID 11604196
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
6-Amino-2-pyridinemethanamine
CID 17958963
N,6-dimethylpyridin-2-amine
CID 3839092
1-Cyclopentyl-3-(6-methylpyridin-2-yl)thiourea
CID 1959621
1-Cyclohexyl-3-(6-methylpyridin-2-yl)thiourea
CID 2987777
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323541

Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide (CID 103189001) is 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide is CCN(c1cccc(C(N)=S)n1)C(C)CN(C)C.
What is the InChIKey of 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide?
The InChIKey is DZXJPUMRBIVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-17(10(2)9-16(3)4)12-8-6-7-11(15-12)13(14)18/h6-8,10H,5,9H2,1-4H3,(H2,14,18).
What are the key properties of 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide?
6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)propan-2-yl-ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 103189001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).