1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one

C13H15ClN4OS — CID 65475167

IUPAC1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2c(Cl)ccc3nsnc23)C1=O
InChIInChI=1S/C13H15ClN4OS/c1-2-15-10-4-3-7-18(13(10)19)12-8(14)5-6-9-11(12)17-20-16-9/h5-6,10,15H,2-4,7H2,1H3
InChIKeyACNZVPANARROAR-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.45
Rot. Bonds3

About 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one (PubChem CID 65475167) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one
PubChem CID65475167
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(c2c(Cl)ccc3nsnc23)C1=O
InChIInChI=1S/C13H15ClN4OS/c1-2-15-10-4-3-7-18(13(10)19)12-8(14)5-6-9-11(12)17-20-16-9/h5-6,10,15H,2-4,7H2,1H3
InChIKeyACNZVPANARROAR-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one 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 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one?
The IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one (CID 65475167) is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one?
The canonical SMILES for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one is CCNC1CCCN(c2c(Cl)ccc3nsnc23)C1=O.
What is the InChIKey of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one?
The InChIKey is ACNZVPANARROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-2-15-10-4-3-7-18(13(10)19)12-8(14)5-6-9-11(12)17-20-16-9/h5-6,10,15H,2-4,7H2,1H3.
What are the key properties of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one?
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one has a molecular weight of 310.81 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one is sourced from PubChem (CID 65475167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).