Hydroxy tizanidine, (+-)-

C9H8ClN5OS — CID 46781916

IUPAC2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-5-ol
SMILESC1C(NC(=N1)NC2=C(C=CC3=NSN=C32)Cl)O
InChIInChI=1S/C9H8ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2,6,16H,3H2,(H2,11,12,13)
InChIKeyLURMELDQBVJARZ-UHFFFAOYSA-N
MW269.71 g/mol
LogP0.60
Rot. Bonds2

About Hydroxy tizanidine, (+-)-

Hydroxy tizanidine, (+-)- (PubChem CID 46781916) has the molecular formula C9H8ClN5OS and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-5-ol.

Molecular Properties

Compound NameHydroxy tizanidine, (+-)-
PubChem CID46781916
Molecular FormulaC9H8ClN5OS
Molecular Weight269.71 g/mol
Exact Mass269.01
IUPAC Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-5-ol
SMILESC1C(NC(=N1)NC2=C(C=CC3=NSN=C32)Cl)O
InChIInChI=1S/C9H8ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2,6,16H,3H2,(H2,11,12,13)
InChIKeyLURMELDQBVJARZ-UHFFFAOYSA-N
XLogP0.60
TPSA111.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-((5-Chloro-2,1,3-benzothiadiazol-4-yl)amino)-3,5-dihydro-4H-imidazol-4-one
CID 125355057
2-[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]imidazolidinium chloride
CID 139061238
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
Tizanidine-d4
CID 44539519

Frequently Asked Questions

What is the IUPAC name of Hydroxy tizanidine, (+-)-?
The IUPAC name of Hydroxy tizanidine, (+-)- (CID 46781916) is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-5-ol.
What is the SMILES notation for Hydroxy tizanidine, (+-)-?
The canonical SMILES for Hydroxy tizanidine, (+-)- is C1C(NC(=N1)NC2=C(C=CC3=NSN=C32)Cl)O.
What is the InChIKey of Hydroxy tizanidine, (+-)-?
The InChIKey is LURMELDQBVJARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2,6,16H,3H2,(H2,11,12,13).
What are the key properties of Hydroxy tizanidine, (+-)-?
Hydroxy tizanidine, (+-)- has a molecular weight of 269.71 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Hydroxy tizanidine, (+-)- is sourced from PubChem (CID 46781916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).