3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one

C10H19NOS — CID 58364462

IUPAC3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCC1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8-6-13-7-11(8)9(12)5-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyYKTPJDFHKMQOEC-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.34
Rot. Bonds1

About 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one

3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 58364462) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
PubChem CID58364462
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCC1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C10H19NOS/c1-8-6-13-7-11(8)9(12)5-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyYKTPJDFHKMQOEC-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-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 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one (CID 58364462) is 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one is CC1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is YKTPJDFHKMQOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-6-13-7-11(8)9(12)5-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one?
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 201.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 58364462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).