5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine

C10H9Cl2N3S2 — CID 43740926

IUPAC5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NC1CCSC1
InChIInChI=1S/C10H9Cl2N3S2/c11-6-3-7(12)9-10(15-17-14-9)8(6)13-5-1-2-16-4-5/h3,5,13H,1-2,4H2
InChIKeyJRLIQRSOOHUVPM-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.92
Rot. Bonds2

About 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740926) has the molecular formula C10H9Cl2N3S2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID43740926
Molecular FormulaC10H9Cl2N3S2
Molecular Weight306.24 g/mol
Exact Mass304.96
IUPAC Name5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NC1CCSC1
InChIInChI=1S/C10H9Cl2N3S2/c11-6-3-7(12)9-10(15-17-14-9)8(6)13-5-1-2-16-4-5/h3,5,13H,1-2,4H2
InChIKeyJRLIQRSOOHUVPM-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine (CID 43740926) is 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine is Clc1cc(Cl)c2nsnc2c1NC1CCSC1.
What is the InChIKey of 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is JRLIQRSOOHUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S2/c11-6-3-7(12)9-10(15-17-14-9)8(6)13-5-1-2-16-4-5/h3,5,13H,1-2,4H2.
What are the key properties of 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 306.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).