2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline

C9H11ClN2O2S — CID 16642518

IUPAC2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
SMILESNc1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-8-3-2-7(6-9(8)11)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKeyOTNHGXJKIQCVEM-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.46
Rot. Bonds1

About 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline

2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline (PubChem CID 16642518) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
PubChem CID16642518
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
SMILESNc1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C9H11ClN2O2S/c10-8-3-2-7(6-9(8)11)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKeyOTNHGXJKIQCVEM-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.46
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 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline?
The IUPAC name of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline (CID 16642518) is 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline is Nc1cc(N2CCCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline?
The InChIKey is OTNHGXJKIQCVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-8-3-2-7(6-9(8)11)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2.
What are the key properties of 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline?
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline has a molecular weight of 246.72 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline is sourced from PubChem (CID 16642518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).