2-hexyl-1,3-thiazolidin-4-one

C9H17NOS — CID 134090286

IUPAC2-hexyl-1,3-thiazolidin-4-one
SMILESCCCCCCC1NC(=O)CS1
InChIInChI=1S/C9H17NOS/c1-2-3-4-5-6-9-10-8(11)7-12-9/h9H,2-7H2,1H3,(H,10,11)
InChIKeyCKJFHBBOOBJDQY-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.15
Rot. Bonds5

About 2-hexyl-1,3-thiazolidin-4-one

2-hexyl-1,3-thiazolidin-4-one (PubChem CID 134090286) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-hexyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-hexyl-1,3-thiazolidin-4-one
PubChem CID134090286
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-hexyl-1,3-thiazolidin-4-one
SMILESCCCCCCC1NC(=O)CS1
InChIInChI=1S/C9H17NOS/c1-2-3-4-5-6-9-10-8(11)7-12-9/h9H,2-7H2,1H3,(H,10,11)
InChIKeyCKJFHBBOOBJDQY-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexyl-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

Related Compounds

2-undecylimidazolidin-4-one
CID 175066208
4,7-didodecyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 141093259
2-hexyl-4-methyl-1,3-thiazinane
CID 66232199
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
4-heptyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 15571824
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
2-decylthiomorpholin-3-one
CID 71321236
2-nonylthietane
CID 21487379
2-pentadecylcyclopropan-1-one
CID 70874004
2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-hexyl-1,3-thiazolidin-4-one (CID 134090286) is 2-hexyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-hexyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-hexyl-1,3-thiazolidin-4-one is CCCCCCC1NC(=O)CS1.
What is the InChIKey of 2-hexyl-1,3-thiazolidin-4-one?
The InChIKey is CKJFHBBOOBJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-2-3-4-5-6-9-10-8(11)7-12-9/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-hexyl-1,3-thiazolidin-4-one?
2-hexyl-1,3-thiazolidin-4-one has a molecular weight of 187.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 134090286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).