ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate

C10H10ClN3O2S — CID 65475846

IUPACethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN3O2S/c1-2-16-8(15)5-12-9-6(11)3-4-7-10(9)14-17-13-7/h3-4,12H,2,5H2,1H3
InChIKeyRBSSCWUICWXYFB-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate

ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate (PubChem CID 65475846) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate
PubChem CID65475846
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate
SMILESCCOC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN3O2S/c1-2-16-8(15)5-12-9-6(11)3-4-7-10(9)14-17-13-7/h3-4,12H,2,5H2,1H3
InChIKeyRBSSCWUICWXYFB-UHFFFAOYSA-N
XLogP2.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate (CID 65475846) is ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate is CCOC(=O)CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate?
The InChIKey is RBSSCWUICWXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-2-16-8(15)5-12-9-6(11)3-4-7-10(9)14-17-13-7/h3-4,12H,2,5H2,1H3.
What are the key properties of ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate?
ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate has a molecular weight of 271.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetate is sourced from PubChem (CID 65475846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).