5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)

C9H9Cl2N5S — CID 45359118

About 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)

5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1) (PubChem CID 45359118) has the molecular formula C9H9Cl2N5S and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)
• PubChem CID: 45359118
• Molecular Formula: C9H9Cl2N5S
• Molecular Weight: 294.20 g/mol
• Exact Mass: 293.02
• IUPAC Name: 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride
• SMILES: [2H]C1(C(N=C(N1)NC2=C(C=CC3=NSN=C32)Cl)([2H])[2H])[2H].Cl
• InChI: InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H/i3D2,4D2
• InChIKey: ZWUKMNZJRDGCTQ-URZLSVTISA-N
• XLogP: —
• TPSA: 90.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: 300

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)?

The IUPAC name of 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1) (CID 45359118) is 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride.

What is the SMILES notation for 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)?

The canonical SMILES for 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1) is [2H]C1(C(N=C(N1)NC2=C(C=CC3=NSN=C32)Cl)([2H])[2H])[2H].Cl.

What is the InChIKey of 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)?

The InChIKey is ZWUKMNZJRDGCTQ-URZLSVTISA-N. The full InChI is InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H/i3D2,4D2;.

What are the key properties of 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1)?

5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1) has a molecular weight of 294.20 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Chloro-N-[(4,4,5,5-~2~H_4_)-4,5-dihydro-1H-imidazol-2-yl]-2,1,3-benzothiadiazol-4-amine--hydrogen chloride (1/1) is sourced from PubChem (CID 45359118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).