2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide

C12H19N3OS — CID 82951921

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
SMILESCOCCN(c1ncccc1C(N)=S)C(C)C
InChIInChI=1S/C12H19N3OS/c1-9(2)15(7-8-16-3)12-10(11(13)17)5-4-6-14-12/h4-6,9H,7-8H2,1-3H3,(H2,13,17)
InChIKeyIQAMQVNPWSTZQH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.58
Rot. Bonds6

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

2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide (PubChem CID 82951921) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
PubChem CID82951921
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
SMILESCOCCN(c1ncccc1C(N)=S)C(C)C
InChIInChI=1S/C12H19N3OS/c1-9(2)15(7-8-16-3)12-10(11(13)17)5-4-6-14-12/h4-6,9H,7-8H2,1-3H3,(H2,13,17)
InChIKeyIQAMQVNPWSTZQH-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.58
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-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide (CID 82951921) is 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide is COCCN(c1ncccc1C(N)=S)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide?
The InChIKey is IQAMQVNPWSTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)15(7-8-16-3)12-10(11(13)17)5-4-6-14-12/h4-6,9H,7-8H2,1-3H3,(H2,13,17).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide?
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide has a molecular weight of 253.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 82951921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).