3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C10H9ClN2O2S — CID 63745600

IUPAC3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(Cl)c1CN1C(=O)CSC1=O
InChIInChI=1S/C10H9ClN2O2S/c11-7-2-1-3-8(12)6(7)4-13-9(14)5-16-10(13)15/h1-3H,4-5,12H2
InChIKeyCBMQTNVUEUUPJV-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.12
Rot. Bonds2

About 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 63745600) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID63745600
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(Cl)c1CN1C(=O)CSC1=O
InChIInChI=1S/C10H9ClN2O2S/c11-7-2-1-3-8(12)6(7)4-13-9(14)5-16-10(13)15/h1-3H,4-5,12H2
InChIKeyCBMQTNVUEUUPJV-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 63745600) is 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is Nc1cccc(Cl)c1CN1C(=O)CSC1=O.
What is the InChIKey of 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CBMQTNVUEUUPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-7-2-1-3-8(12)6(7)4-13-9(14)5-16-10(13)15/h1-3H,4-5,12H2.
What are the key properties of 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 256.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 63745600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).