5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine

C10H9ClN2S — CID 91297553

IUPAC5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine
SMILESClc1cccc2c1N(C1CC1)C=NS2
InChIInChI=1S/C10H9ClN2S/c11-8-2-1-3-9-10(8)13(6-12-14-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyPYUJYBPSSVDXPI-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.36
Rot. Bonds1

About 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine

5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine (PubChem CID 91297553) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine
PubChem CID91297553
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine
SMILESClc1cccc2c1N(C1CC1)C=NS2
InChIInChI=1S/C10H9ClN2S/c11-8-2-1-3-9-10(8)13(6-12-14-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyPYUJYBPSSVDXPI-UHFFFAOYSA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine 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 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine?
The IUPAC name of 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine (CID 91297553) is 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine.
What is the SMILES notation for 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine?
The canonical SMILES for 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine is Clc1cccc2c1N(C1CC1)C=NS2.
What is the InChIKey of 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine?
The InChIKey is PYUJYBPSSVDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-8-2-1-3-9-10(8)13(6-12-14-9)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine?
5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine has a molecular weight of 224.72 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopropyl-1,2,4-benzothiadiazine is sourced from PubChem (CID 91297553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).