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

C9H12N2S — CID 3038159

IUPACN-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide
SMILESCNC(=S)Cc1cccc(C)n1
InChIInChI=1S/C9H12N2S/c1-7-4-3-5-8(11-7)6-9(12)10-2/h3-5H,6H2,1-2H3,(H,10,12)
InChIKeyDHRMUYMJMJPCPK-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.48
Rot. Bonds2

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

N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide (PubChem CID 3038159) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide
PubChem CID3038159
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC NameN-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide
SMILESCNC(=S)Cc1cccc(C)n1
InChIInChI=1S/C9H12N2S/c1-7-4-3-5-8(11-7)6-9(12)10-2/h3-5H,6H2,1-2H3,(H,10,12)
InChIKeyDHRMUYMJMJPCPK-UHFFFAOYSA-N
XLogP1.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.48
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-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The IUPAC name of N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide (CID 3038159) is N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide.
What is the SMILES notation for N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The canonical SMILES for N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide is CNC(=S)Cc1cccc(C)n1.
What is the InChIKey of N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
The InChIKey is DHRMUYMJMJPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-7-4-3-5-8(11-7)6-9(12)10-2/h3-5H,6H2,1-2H3,(H,10,12).
What are the key properties of N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide?
N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide has a molecular weight of 180.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2-pyridinyl)ethanethioamide is sourced from PubChem (CID 3038159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).