4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one

C13H17NO3S — CID 82134008

IUPAC4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccccc1CN1C(=O)C(C)(C)CS1(=O)=O
InChIInChI=1S/C13H17NO3S/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-18(14,16)17/h4-7H,8-9H2,1-3H3
InChIKeyUJRUSUGWHRYAKE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.69
Rot. Bonds2

About 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one

4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82134008) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82134008
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccccc1CN1C(=O)C(C)(C)CS1(=O)=O
InChIInChI=1S/C13H17NO3S/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-18(14,16)17/h4-7H,8-9H2,1-3H3
InChIKeyUJRUSUGWHRYAKE-UHFFFAOYSA-N
XLogP1.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-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

4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
CID 13192567
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
CID 123972048
4,4-dimethyl-2-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82088217
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)butanoic acid
CID 117030034
3-methyl-1-[(2-methylphenyl)methyl]-2-oxopiperidine-3-carboxylic acid
CID 68537801
4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 117030024
2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 82092286
2-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]benzohydrazide
CID 79886178
(3aR,7aR)-2-[(2-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7917657
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 42348649
3-cyclopropyl-6,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64886968

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 82134008) is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccccc1CN1C(=O)C(C)(C)CS1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is UJRUSUGWHRYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-6-4-5-7-11(10)8-14-12(15)13(2,3)9-18(14,16)17/h4-7H,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one?
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82134008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).