2-(5-methyl-2-pyridinyl)ethanethioamide

C8H10N2S — CID 3038158

IUPAC2-(5-methyl-2-pyridinyl)ethanethioamide
SMILESCc1ccc(CC(N)=S)nc1
InChIInChI=1S/C8H10N2S/c1-6-2-3-7(10-5-6)4-8(9)11/h2-3,5H,4H2,1H3,(H2,9,11)
InChIKeyQHFPDQABYJTJIF-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.22
Rot. Bonds2

About 2-(5-methyl-2-pyridinyl)ethanethioamide

2-(5-methyl-2-pyridinyl)ethanethioamide (PubChem CID 3038158) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)ethanethioamide.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)ethanethioamide
PubChem CID3038158
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(5-methyl-2-pyridinyl)ethanethioamide
SMILESCc1ccc(CC(N)=S)nc1
InChIInChI=1S/C8H10N2S/c1-6-2-3-7(10-5-6)4-8(9)11/h2-3,5H,4H2,1H3,(H2,9,11)
InChIKeyQHFPDQABYJTJIF-UHFFFAOYSA-N
XLogP1.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.22
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 2-(5-methyl-2-pyridinyl)ethanethioamide?
The IUPAC name of 2-(5-methyl-2-pyridinyl)ethanethioamide (CID 3038158) is 2-(5-methyl-2-pyridinyl)ethanethioamide.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)ethanethioamide?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)ethanethioamide is Cc1ccc(CC(N)=S)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)ethanethioamide?
The InChIKey is QHFPDQABYJTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-6-2-3-7(10-5-6)4-8(9)11/h2-3,5H,4H2,1H3,(H2,9,11).
What are the key properties of 2-(5-methyl-2-pyridinyl)ethanethioamide?
2-(5-methyl-2-pyridinyl)ethanethioamide has a molecular weight of 166.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)ethanethioamide is sourced from PubChem (CID 3038158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).