N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H19N3O4S2 — CID 21007479

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)sc1C
InChIInChI=1S/C17H19N3O4S2/c1-10-11(2)25-16(18-10)19-14(21)12-6-5-7-13(8-12)20-15(22)17(3,4)9-26(20,23)24/h5-8H,9H2,1-4H3,(H,18,19,21)
InChIKeyJLIREDRWWDFKFH-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007479) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007479
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)sc1C
InChIInChI=1S/C17H19N3O4S2/c1-10-11(2)25-16(18-10)19-14(21)12-6-5-7-13(8-12)20-15(22)17(3,4)9-26(20,23)24/h5-8H,9H2,1-4H3,(H,18,19,21)
InChIKeyJLIREDRWWDFKFH-UHFFFAOYSA-N
XLogP2.71
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 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

N-(2,6-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997277
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084540
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18137763
N-(4-bromophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997302
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 20997286
N-butan-2-yl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007441
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-pentylbenzamide
CID 21007460
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997225
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007479) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1nc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is JLIREDRWWDFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-10-11(2)25-16(18-10)19-14(21)12-6-5-7-13(8-12)20-15(22)17(3,4)9-26(20,23)24/h5-8H,9H2,1-4H3,(H,18,19,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).