2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide

C11H17N3S — CID 43272299

IUPAC2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCC(C)CN(C)c1ncccc1C(N)=S
InChIInChI=1S/C11H17N3S/c1-8(2)7-14(3)11-9(10(12)15)5-4-6-13-11/h4-6,8H,7H2,1-3H3,(H2,12,15)
InChIKeyYLFNLLZLSRVLPS-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.81
Rot. Bonds4

About 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide

2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide (PubChem CID 43272299) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
PubChem CID43272299
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCC(C)CN(C)c1ncccc1C(N)=S
InChIInChI=1S/C11H17N3S/c1-8(2)7-14(3)11-9(10(12)15)5-4-6-13-11/h4-6,8H,7H2,1-3H3,(H2,12,15)
InChIKeyYLFNLLZLSRVLPS-UHFFFAOYSA-N
XLogP1.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.81
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

2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
CID 105418161
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide (CID 43272299) is 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide is CC(C)CN(C)c1ncccc1C(N)=S.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The InChIKey is YLFNLLZLSRVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8(2)7-14(3)11-9(10(12)15)5-4-6-13-11/h4-6,8H,7H2,1-3H3,(H2,12,15).
What are the key properties of 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide has a molecular weight of 223.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 43272299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).