4-methyl-2-pyridin-2-ylpentanethioamide

C11H16N2S — CID 3038179

IUPAC4-methyl-2-pyridin-2-ylpentanethioamide
SMILESCC(C)CC(C(N)=S)c1ccccn1
InChIInChI=1S/C11H16N2S/c1-8(2)7-9(11(12)14)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14)
InChIKeyZLCUCARGQQKEGI-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.50
Rot. Bonds4

About 4-methyl-2-pyridin-2-ylpentanethioamide

4-methyl-2-pyridin-2-ylpentanethioamide (PubChem CID 3038179) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-ylpentanethioamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-ylpentanethioamide
PubChem CID3038179
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-methyl-2-pyridin-2-ylpentanethioamide
SMILESCC(C)CC(C(N)=S)c1ccccn1
InChIInChI=1S/C11H16N2S/c1-8(2)7-9(11(12)14)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14)
InChIKeyZLCUCARGQQKEGI-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-pyridin-2-ylpentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-ylpentanethioamide?
The IUPAC name of 4-methyl-2-pyridin-2-ylpentanethioamide (CID 3038179) is 4-methyl-2-pyridin-2-ylpentanethioamide.
What is the SMILES notation for 4-methyl-2-pyridin-2-ylpentanethioamide?
The canonical SMILES for 4-methyl-2-pyridin-2-ylpentanethioamide is CC(C)CC(C(N)=S)c1ccccn1.
What is the InChIKey of 4-methyl-2-pyridin-2-ylpentanethioamide?
The InChIKey is ZLCUCARGQQKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(2)7-9(11(12)14)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14).
What are the key properties of 4-methyl-2-pyridin-2-ylpentanethioamide?
4-methyl-2-pyridin-2-ylpentanethioamide has a molecular weight of 208.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-ylpentanethioamide is sourced from PubChem (CID 3038179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).