2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one

C10H19NOS — CID 141025829

IUPAC2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(C(C)C)S1
InChIInChI=1S/C10H19NOS/c1-4-5-6-8-11-10(12)9(13-8)7(2)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyWGQOQUKPEIPNJP-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.39
Rot. Bonds4

About 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one

2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 141025829) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID141025829
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(C(C)C)S1
InChIInChI=1S/C10H19NOS/c1-4-5-6-8-11-10(12)9(13-8)7(2)3/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyWGQOQUKPEIPNJP-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-5-propan-2-yl-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-butyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 141025829) is 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one is CCCCC1NC(=O)C(C(C)C)S1.
What is the InChIKey of 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is WGQOQUKPEIPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-5-6-8-11-10(12)9(13-8)7(2)3/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 201.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 141025829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).