3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione

C7H6N2O2S2 — CID 130634599

IUPAC3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1cscn1
InChIInChI=1S/C7H6N2O2S2/c10-6-3-13-7(11)9(6)1-5-2-12-4-8-5/h2,4H,1,3H2
InChIKeyVZWVVXJEHLBELR-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.34
Rot. Bonds2

About 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione

3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 130634599) has the molecular formula C7H6N2O2S2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID130634599
Molecular FormulaC7H6N2O2S2
Molecular Weight214.27 g/mol
Exact Mass213.99
IUPAC Name3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1cscn1
InChIInChI=1S/C7H6N2O2S2/c10-6-3-13-7(11)9(6)1-5-2-12-4-8-5/h2,4H,1,3H2
InChIKeyVZWVVXJEHLBELR-UHFFFAOYSA-N
XLogP1.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione 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-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
CID 72892833
3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 79240657
6-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]pyridine-2-carboxylic acid
CID 106903622
1-(1,3-thiazol-4-ylmethyl)pyridin-4-one
CID 116622179
3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 62246150
4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987501
4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
CID 115774387
8-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770504
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3157072
3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
CID 16790896
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 130634599) is 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is VZWVVXJEHLBELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S2/c10-6-3-13-7(11)9(6)1-5-2-12-4-8-5/h2,4H,1,3H2.
What are the key properties of 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 214.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 130634599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).