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

C12H19N3S — CID 43273948

IUPAC2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCCN(CC(C)C)c1ncccc1C(N)=S
InChIInChI=1S/C12H19N3S/c1-4-15(8-9(2)3)12-10(11(13)16)6-5-7-14-12/h5-7,9H,4,8H2,1-3H3,(H2,13,16)
InChIKeyAOTRCIFPGSSNKN-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.20
Rot. Bonds5

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

2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide (PubChem CID 43273948) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
PubChem CID43273948
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCCN(CC(C)C)c1ncccc1C(N)=S
InChIInChI=1S/C12H19N3S/c1-4-15(8-9(2)3)12-10(11(13)16)6-5-7-14-12/h5-7,9H,4,8H2,1-3H3,(H2,13,16)
InChIKeyAOTRCIFPGSSNKN-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.20
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-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 114057368
2-[bis(2-methylpropyl)amino]benzenecarbothioamide
CID 61378298
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
3-N-ethyl-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985415
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
4-[ethyl(2-methylpropyl)amino]-2-fluorobenzenecarbothioamide
CID 113295805

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide (CID 43273948) is 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide is CCN(CC(C)C)c1ncccc1C(N)=S.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
The InChIKey is AOTRCIFPGSSNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-15(8-9(2)3)12-10(11(13)16)6-5-7-14-12/h5-7,9H,4,8H2,1-3H3,(H2,13,16).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide?
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide has a molecular weight of 237.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 43273948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).