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

C13H21N3OS — CID 54985985

IUPAC2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCOCCN(CC(C)C)c1ncccc1C(N)=S
InChIInChI=1S/C13H21N3OS/c1-10(2)9-16(7-8-17-3)13-11(12(14)18)5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H2,14,18)
InChIKeyVBVHPJFEPPTCNY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.82
Rot. Bonds7

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

2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide (PubChem CID 54985985) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
PubChem CID54985985
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCOCCN(CC(C)C)c1ncccc1C(N)=S
InChIInChI=1S/C13H21N3OS/c1-10(2)9-16(7-8-17-3)13-11(12(14)18)5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H2,14,18)
InChIKeyVBVHPJFEPPTCNY-UHFFFAOYSA-N
XLogP1.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.82
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

2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
CID 81276883
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
3-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboximidamide
CID 62684039
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
2-[bis(2-methylpropyl)amino]benzenecarbothioamide
CID 61378298

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide (CID 54985985) is 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide is COCCN(CC(C)C)c1ncccc1C(N)=S.
What is the InChIKey of 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The InChIKey is VBVHPJFEPPTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)9-16(7-8-17-3)13-11(12(14)18)5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H2,14,18).
What are the key properties of 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide has a molecular weight of 267.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 54985985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).