3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

C14H24N2O2S — CID 42749081

IUPAC3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)8-12(17)16-10-19-9-11(16)13(18)15-6-4-5-7-15/h11H,4-10H2,1-3H3
InChIKeyKPPXAVDPAKJWAS-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.95
Rot. Bonds2

About 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (PubChem CID 42749081) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
PubChem CID42749081
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)8-12(17)16-10-19-9-11(16)13(18)15-6-4-5-7-15/h11H,4-10H2,1-3H3
InChIKeyKPPXAVDPAKJWAS-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-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

Related Compounds

1-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354306
ethyl 2-[4-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 146088892
1-[4-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 86895677
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
1-[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 42749085
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 58364462
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
(3aS,7aS)-2-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626745
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 124512436
1-(4-tert-butylphenyl)-2-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethane-1,2-dione
CID 97007779

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (CID 42749081) is 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The InChIKey is KPPXAVDPAKJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)8-12(17)16-10-19-9-11(16)13(18)15-6-4-5-7-15/h11H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one has a molecular weight of 284.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is sourced from PubChem (CID 42749081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).