N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide

C10H14N2S — CID 3038160

IUPACN-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide
SMILESCCNC(=S)Cc1cccc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-11-10(13)7-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,11,13)
InChIKeyQRGFGDGAQDAHBG-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.87
Rot. Bonds3

About N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide

N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide (PubChem CID 3038160) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide.

Molecular Properties

Compound NameN-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide
PubChem CID3038160
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide
SMILESCCNC(=S)Cc1cccc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-11-10(13)7-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,11,13)
InChIKeyQRGFGDGAQDAHBG-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The IUPAC name of N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide (CID 3038160) is N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide.
What is the SMILES notation for N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The canonical SMILES for N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide is CCNC(=S)Cc1cccc(C)n1.
What is the InChIKey of N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The InChIKey is QRGFGDGAQDAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-11-10(13)7-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide has a molecular weight of 194.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methyl-2-pyridinyl)ethanethioamide is sourced from PubChem (CID 3038160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).