5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride

C9H9Cl2N5S — CID 45359118

IUPAC5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride
SMILESCl.[2H]C1([2H])N=C(Nc2c(Cl)ccc3nsnc23)NC1([2H])[2H]
InChIInChI=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;
InChIKeyZWUKMNZJRDGCTQ-URZLSVTISA-N
MW294.20 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride

5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride (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 Name5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride
PubChem CID45359118
Molecular FormulaC9H9Cl2N5S
Molecular Weight294.20 g/mol
Exact Mass293.02
IUPAC Name5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride
SMILESCl.[2H]C1([2H])N=C(Nc2c(Cl)ccc3nsnc23)NC1([2H])[2H]
InChIInChI=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;
InChIKeyZWUKMNZJRDGCTQ-URZLSVTISA-N
XLogP2.14
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride with MolForge

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Related Compounds

Tizanidine
CID 5487
Tizanidine Hydrochloride
CID 114869
Tizanidin e
CID 16413927
2,1,3-Benzothiadiazol-4-amine, 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
CID 3039837
1-[2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
CID 12988207
Hydroxy tizanidine, (+-)-
CID 46781916
2-((5-Chloro-2,1,3-benzothiadiazol-4-yl)amino)-3,5-dihydro-4H-imidazol-4-one
CID 125355057
2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-
CID 11806186
2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]imidazolidinium chloride
CID 139061238
Tizanidine EP Impurity F
CID 90989638
5-Chloro-N-(imidazolidin-2-ylidene)-2,1,3-benzothiadiazol-4-amine
CID 137523243
Tizanidine lactate
CID 184639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride?
The IUPAC name of 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride (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-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride?
The canonical SMILES for 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride is Cl.[2H]C1([2H])N=C(Nc2c(Cl)ccc3nsnc23)NC1([2H])[2H].
What is the InChIKey of 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride?
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-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride?
5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride has a molecular weight of 294.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride is sourced from PubChem (CID 45359118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).