5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline

C10H14N2O2S — CID 9079187

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline
SMILESCc1ccc(N2CCCS2(=O)=O)cc1N
InChIInChI=1S/C10H14N2O2S/c1-8-3-4-9(7-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyZKUMMUCRIGJVIV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.12
Rot. Bonds1

About 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline (PubChem CID 9079187) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline
PubChem CID9079187
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline
SMILESCc1ccc(N2CCCS2(=O)=O)cc1N
InChIInChI=1S/C10H14N2O2S/c1-8-3-4-9(7-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyZKUMMUCRIGJVIV-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline (CID 9079187) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline is Cc1ccc(N2CCCS2(=O)=O)cc1N.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline?
The InChIKey is ZKUMMUCRIGJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-3-4-9(7-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline has a molecular weight of 226.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline is sourced from PubChem (CID 9079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).