5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

C12H11Cl2N5S — CID 65474863

IUPAC5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nccn1CCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H11Cl2N5S/c1-7-15-2-4-19(7)5-3-16-10-8(13)6-9(14)11-12(10)18-20-17-11/h2,4,6,16H,3,5H2,1H3
InChIKeyUFHQAPXDAHNJKH-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.62
Rot. Bonds4

About 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65474863) has the molecular formula C12H11Cl2N5S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65474863
Molecular FormulaC12H11Cl2N5S
Molecular Weight328.23 g/mol
Exact Mass327.01
IUPAC Name5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nccn1CCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H11Cl2N5S/c1-7-15-2-4-19(7)5-3-16-10-8(13)6-9(14)11-12(10)18-20-17-11/h2,4,6,16H,3,5H2,1H3
InChIKeyUFHQAPXDAHNJKH-UHFFFAOYSA-N
XLogP3.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (CID 65474863) is 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is Cc1nccn1CCNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is UFHQAPXDAHNJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5S/c1-7-15-2-4-19(7)5-3-16-10-8(13)6-9(14)11-12(10)18-20-17-11/h2,4,6,16H,3,5H2,1H3.
What are the key properties of 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 328.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65474863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).