2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide

C14H22N4S — CID 105418066

IUPAC2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H22N4S/c1-10-5-6-11(12(15)19)13(17-10)16-9-14(18(2)3)7-4-8-14/h5-6H,4,7-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyUTNYBXMJEGCZQM-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.92
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide

2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide (PubChem CID 105418066) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide
PubChem CID105418066
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H22N4S/c1-10-5-6-11(12(15)19)13(17-10)16-9-14(18(2)3)7-4-8-14/h5-6H,4,7-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyUTNYBXMJEGCZQM-UHFFFAOYSA-N
XLogP1.92
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.92
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

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
N-(4,6-dimethylpyridin-2-yl)-4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
CID 49852897
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
1-(6-Methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
CID 1952370
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
N-(6-amino-2-pyridinyl)-N'-(2-methyl-2-propen-1-yl)thiourea
CID 1265108
N-(4,6-dimethyl-2-pyridinyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide
CID 134437757
N,4,6-trimethylpyridin-2-amine
CID 3792909

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide (CID 105418066) is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(NCC2(N(C)C)CCC2)n1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide?
The InChIKey is UTNYBXMJEGCZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-5-6-11(12(15)19)13(17-10)16-9-14(18(2)3)7-4-8-14/h5-6H,4,7-9H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide?
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 105418066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).