4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one

C11H11ClN4OS — CID 65475154

IUPAC4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)ccc3nsnc23)C1
InChIInChI=1S/C11H11ClN4OS/c12-7-1-2-8-10(15-18-14-8)11(7)16-5-6(4-13)3-9(16)17/h1-2,6H,3-5,13H2
InChIKeyLJRCVUDYWLVBRZ-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.66
Rot. Bonds2

About 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one (PubChem CID 65475154) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
PubChem CID65475154
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2c(Cl)ccc3nsnc23)C1
InChIInChI=1S/C11H11ClN4OS/c12-7-1-2-8-10(15-18-14-8)11(7)16-5-6(4-13)3-9(16)17/h1-2,6H,3-5,13H2
InChIKeyLJRCVUDYWLVBRZ-UHFFFAOYSA-N
XLogP1.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-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

Related Compounds

[1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673961
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one
CID 115370698
4-(aminomethyl)-1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168659751
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one
CID 65474969
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
1-(2,6-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671276
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one (CID 65475154) is 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2c(Cl)ccc3nsnc23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one?
The InChIKey is LJRCVUDYWLVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-7-1-2-8-10(15-18-14-8)11(7)16-5-6(4-13)3-9(16)17/h1-2,6H,3-5,13H2.
What are the key properties of 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one has a molecular weight of 282.76 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 65475154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).