5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine

C12H9Cl2N3S2 — CID 43740976

IUPAC5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1
InChIInChI=1S/C12H9Cl2N3S2/c1-6(9-3-2-4-18-9)15-10-7(13)5-8(14)11-12(10)17-19-16-11/h2-6,15H,1H3
InChIKeyHNSSASHKZDJFBK-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.23
Rot. Bonds3

About 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740976) has the molecular formula C12H9Cl2N3S2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID43740976
Molecular FormulaC12H9Cl2N3S2
Molecular Weight330.27 g/mol
Exact Mass328.96
IUPAC Name5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine
SMILESCC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1
InChIInChI=1S/C12H9Cl2N3S2/c1-6(9-3-2-4-18-9)15-10-7(13)5-8(14)11-12(10)17-19-16-11/h2-6,15H,1H3
InChIKeyHNSSASHKZDJFBK-UHFFFAOYSA-N
XLogP5.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine 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 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine (CID 43740976) is 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine is CC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1.
What is the InChIKey of 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is HNSSASHKZDJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S2/c1-6(9-3-2-4-18-9)15-10-7(13)5-8(14)11-12(10)17-19-16-11/h2-6,15H,1H3.
What are the key properties of 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 330.27 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(1-thiophen-2-ylethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).