2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one

C9H17NOS — CID 57025314

IUPAC2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(C)(C)S1
InChIInChI=1S/C9H17NOS/c1-4-5-6-7-10-8(11)9(2,3)12-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyYUEVMKUUFZQIRU-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.14
Rot. Bonds3

About 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one

2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 57025314) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID57025314
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCCCCC1NC(=O)C(C)(C)S1
InChIInChI=1S/C9H17NOS/c1-4-5-6-7-10-8(11)9(2,3)12-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyYUEVMKUUFZQIRU-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one (CID 57025314) is 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one is CCCCC1NC(=O)C(C)(C)S1.
What is the InChIKey of 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is YUEVMKUUFZQIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-5-6-7-10-8(11)9(2,3)12-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one?
2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 187.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 57025314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).