2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide

C9H18N2OS — CID 59783317

IUPAC2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide
SMILESCC1NCC(CNC(=O)C(C)C)S1
InChIInChI=1S/C9H18N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyAEDYEGLOBRPBAF-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide

2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide (PubChem CID 59783317) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide
PubChem CID59783317
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide
SMILESCC1NCC(CNC(=O)C(C)C)S1
InChIInChI=1S/C9H18N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyAEDYEGLOBRPBAF-UHFFFAOYSA-N
XLogP0.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide (CID 59783317) is 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide is CC1NCC(CNC(=O)C(C)C)S1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide?
The InChIKey is AEDYEGLOBRPBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h6-8,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide?
2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]propanamide is sourced from PubChem (CID 59783317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).