4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline

C10H14N2O2S — CID 16642516

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-8-7-9(11)3-4-10(8)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyTYIQKZTZDRTVKZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.12
Rot. Bonds1

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline (PubChem CID 16642516) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
PubChem CID16642516
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-8-7-9(11)3-4-10(8)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyTYIQKZTZDRTVKZ-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 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline (CID 16642516) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline is Cc1cc(N)ccc1N1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline?
The InChIKey is TYIQKZTZDRTVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-7-9(11)3-4-10(8)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-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 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline is sourced from PubChem (CID 16642516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).