N-methyl-2-pyridin-2-ylethanethioamide

C8H10N2S — CID 3038161

IUPACN-methyl-2-pyridin-2-ylethanethioamide
SMILESCNC(=S)Cc1ccccn1
InChIInChI=1S/C8H10N2S/c1-9-8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,9,11)
InChIKeyDXHJWUBAENOHGE-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-2-pyridin-2-ylethanethioamide

N-methyl-2-pyridin-2-ylethanethioamide (PubChem CID 3038161) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-ylethanethioamide.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-ylethanethioamide
PubChem CID3038161
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN-methyl-2-pyridin-2-ylethanethioamide
SMILESCNC(=S)Cc1ccccn1
InChIInChI=1S/C8H10N2S/c1-9-8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,9,11)
InChIKeyDXHJWUBAENOHGE-UHFFFAOYSA-N
XLogP1.17
TPSA24.92 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 ≤ 51.17
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-pyridin-2-ylethanethioamide?
The IUPAC name of N-methyl-2-pyridin-2-ylethanethioamide (CID 3038161) is N-methyl-2-pyridin-2-ylethanethioamide.
What is the SMILES notation for N-methyl-2-pyridin-2-ylethanethioamide?
The canonical SMILES for N-methyl-2-pyridin-2-ylethanethioamide is CNC(=S)Cc1ccccn1.
What is the InChIKey of N-methyl-2-pyridin-2-ylethanethioamide?
The InChIKey is DXHJWUBAENOHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-9-8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,9,11).
What are the key properties of N-methyl-2-pyridin-2-ylethanethioamide?
N-methyl-2-pyridin-2-ylethanethioamide has a molecular weight of 166.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-ylethanethioamide is sourced from PubChem (CID 3038161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).