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

C9H7ClN4OS — CID 115370698

IUPAC1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H7ClN4OS/c10-5-1-2-6-7(13-16-12-6)8(5)14-4-3-11-9(14)15/h1-2H,3-4H2,(H,11,15)
InChIKeyCJPTVXUBOHXVQN-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.87
Rot. Bonds1

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

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one (PubChem CID 115370698) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one
PubChem CID115370698
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H7ClN4OS/c10-5-1-2-6-7(13-16-12-6)8(5)14-4-3-11-9(14)15/h1-2H,3-4H2,(H,11,15)
InChIKeyCJPTVXUBOHXVQN-UHFFFAOYSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-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)-1,3-diazinan-2-one
CID 115371194
3-bromo-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65474782
[1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673961
4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65475154
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65475350
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-(ethylamino)piperidin-2-one
CID 65475167
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 65475890
5-chloro-4-(3-ethyl-1,4-diazepan-1-yl)-2,1,3-benzothiadiazole
CID 65450495
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine
CID 79508205
5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid
CID 130495635
5-chloro-4-(3-propan-2-yl-1,4-diazepan-1-yl)-2,1,3-benzothiadiazole
CID 65473991
4-chloro-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrole-2-carboxylic acid
CID 114605799

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one (CID 115370698) is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one is O=C1NCCN1c1c(Cl)ccc2nsnc12.
What is the InChIKey of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one?
The InChIKey is CJPTVXUBOHXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-5-1-2-6-7(13-16-12-6)8(5)14-4-3-11-9(14)15/h1-2H,3-4H2,(H,11,15).
What are the key properties of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one?
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one has a molecular weight of 254.70 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)imidazolidin-2-one is sourced from PubChem (CID 115370698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).