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

C6H11NOS — CID 14405098

IUPAC2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1NC(=O)CS1
InChIInChI=1S/C6H11NOS/c1-2-3-6-7-5(8)4-9-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyOEVGRVWYSMSRFF-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.98
Rot. Bonds2

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

2-propyl-1,3-thiazolidin-4-one (PubChem CID 14405098) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-propyl-1,3-thiazolidin-4-one
PubChem CID14405098
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1NC(=O)CS1
InChIInChI=1S/C6H11NOS/c1-2-3-6-7-5(8)4-9-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyOEVGRVWYSMSRFF-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-propyl-1,3-thiazolidin-4-one (CID 14405098) is 2-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-propyl-1,3-thiazolidin-4-one is CCCC1NC(=O)CS1.
What is the InChIKey of 2-propyl-1,3-thiazolidin-4-one?
The InChIKey is OEVGRVWYSMSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-3-6-7-5(8)4-9-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-propyl-1,3-thiazolidin-4-one?
2-propyl-1,3-thiazolidin-4-one has a molecular weight of 145.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14405098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).