2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one

C11H21NOS — CID 141025823

IUPAC2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(CC(C)C)S1
InChIInChI=1S/C11H21NOS/c1-4-5-6-10-12-11(13)9(14-10)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyWKVLZEQSWGLISX-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.78
Rot. Bonds5

About 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one

2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 141025823) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID141025823
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(CC(C)C)S1
InChIInChI=1S/C11H21NOS/c1-4-5-6-10-12-11(13)9(14-10)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyWKVLZEQSWGLISX-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 141025823) is 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one is CCCCC1NC(=O)C(CC(C)C)S1.
What is the InChIKey of 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is WKVLZEQSWGLISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-5-6-10-12-11(13)9(14-10)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 215.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 141025823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).