6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide

C13H22N4S — CID 64588030

IUPAC6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
SMILESCN(C)CC(C)(C)CNc1cccc(C(N)=S)n1
InChIInChI=1S/C13H22N4S/c1-13(2,9-17(3)4)8-15-11-7-5-6-10(16-11)12(14)18/h5-7H,8-9H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyUGIVYATVAMWYQE-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.72
Rot. Bonds6

About 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide (PubChem CID 64588030) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
PubChem CID64588030
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
SMILESCN(C)CC(C)(C)CNc1cccc(C(N)=S)n1
InChIInChI=1S/C13H22N4S/c1-13(2,9-17(3)4)8-15-11-7-5-6-10(16-11)12(14)18/h5-7H,8-9H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyUGIVYATVAMWYQE-UHFFFAOYSA-N
XLogP1.72
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
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
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
(6-Methylpyridin-2-yl)thiourea
CID 685983
N,N'-Bis(6-methyl-2-pyridinyl)thiourea
CID 3003754
4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54586763
(R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54587787
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54587788
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide (CID 64588030) is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide is CN(C)CC(C)(C)CNc1cccc(C(N)=S)n1.
What is the InChIKey of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide?
The InChIKey is UGIVYATVAMWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-13(2,9-17(3)4)8-15-11-7-5-6-10(16-11)12(14)18/h5-7H,8-9H2,1-4H3,(H2,14,18)(H,15,16).
What are the key properties of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide?
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64588030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).