2-methyl-3-pentyl-1,3-thiazolidin-4-one

C9H17NOS — CID 11586417

IUPAC2-methyl-3-pentyl-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)CSC1C
InChIInChI=1S/C9H17NOS/c1-3-4-5-6-10-8(2)12-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyDFLVXJUNILXKKD-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-3-pentyl-1,3-thiazolidin-4-one

2-methyl-3-pentyl-1,3-thiazolidin-4-one (PubChem CID 11586417) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-3-pentyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-pentyl-1,3-thiazolidin-4-one
PubChem CID11586417
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-3-pentyl-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)CSC1C
InChIInChI=1S/C9H17NOS/c1-3-4-5-6-10-8(2)12-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyDFLVXJUNILXKKD-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-pentyl-1,3-thiazolidin-4-one 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 2-methyl-3-pentyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-methyl-3-pentyl-1,3-thiazolidin-4-one (CID 11586417) is 2-methyl-3-pentyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methyl-3-pentyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methyl-3-pentyl-1,3-thiazolidin-4-one is CCCCCN1C(=O)CSC1C.
What is the InChIKey of 2-methyl-3-pentyl-1,3-thiazolidin-4-one?
The InChIKey is DFLVXJUNILXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-4-5-6-10-8(2)12-7-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-pentyl-1,3-thiazolidin-4-one?
2-methyl-3-pentyl-1,3-thiazolidin-4-one has a molecular weight of 187.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 11586417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).