5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine

C8H3Cl2N5S2 — CID 65451949

IUPAC5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1Nc1nsnc1Cl
InChIInChI=1S/C8H3Cl2N5S2/c9-3-1-2-4-6(13-16-12-4)5(3)11-8-7(10)14-17-15-8/h1-2H,(H,11,15)
InChIKeyPDNDLEVHRRZCFS-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.59
Rot. Bonds2

About 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65451949) has the molecular formula C8H3Cl2N5S2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65451949
Molecular FormulaC8H3Cl2N5S2
Molecular Weight304.19 g/mol
Exact Mass302.92
IUPAC Name5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1Nc1nsnc1Cl
InChIInChI=1S/C8H3Cl2N5S2/c9-3-1-2-4-6(13-16-12-4)5(3)11-8-7(10)14-17-15-8/h1-2H,(H,11,15)
InChIKeyPDNDLEVHRRZCFS-UHFFFAOYSA-N
XLogP3.59
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine (CID 65451949) is 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1Nc1nsnc1Cl.
What is the InChIKey of 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is PDNDLEVHRRZCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N5S2/c9-3-1-2-4-6(13-16-12-4)5(3)11-8-7(10)14-17-15-8/h1-2H,(H,11,15).
What are the key properties of 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 304.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65451949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).