5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride

C9H9Cl2N5S — CID 139061238

IUPAC5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride
SMILESClc1ccc2nsnc2c1NC1=[NH+]CCN1.[Cl-]
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
InChIKeyZWUKMNZJRDGCTQ-UHFFFAOYSA-N
MW290.18 g/mol
LogP-3.20
Rot. Bonds1

About 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride

5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride (PubChem CID 139061238) has the molecular formula C9H9Cl2N5S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride.

Molecular Properties

Compound Name5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride
PubChem CID139061238
Molecular FormulaC9H9Cl2N5S
Molecular Weight290.18 g/mol
Exact Mass289.00
IUPAC Name5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride
SMILESClc1ccc2nsnc2c1NC1=[NH+]CCN1.[Cl-]
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
InChIKeyZWUKMNZJRDGCTQ-UHFFFAOYSA-N
XLogP-3.20
TPSA63.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 5-3.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride 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
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
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-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride?
The IUPAC name of 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride (CID 139061238) is 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride.
What is the SMILES notation for 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride?
The canonical SMILES for 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride is Clc1ccc2nsnc2c1NC1=[NH+]CCN1.[Cl-].
What is the InChIKey of 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride?
The InChIKey is ZWUKMNZJRDGCTQ-UHFFFAOYSA-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.
What are the key properties of 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride?
5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride has a molecular weight of 290.18 g/mol, XLogP of -3.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)-2,1,3-benzothiadiazol-4-amine chloride is sourced from PubChem (CID 139061238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).