Tizanidine lactate

C12H14ClN5O3S — CID 184639

IUPAC5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-hydroxypropanoic acid
SMILESCC(C(=O)O)O.C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
InChIInChI=1S/C9H8ClN5S.C3H6O3/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;1-2(4)3(5)6/h1-2H,3-4H2,(H2,11,12,13);2,4H,1H3,(H,5,6)
InChIKeyLIVDAGUZLLMLHS-UHFFFAOYSA-N
MW343.79 g/mol
LogP—
Rot. Bonds3

About Tizanidine lactate

Tizanidine lactate (PubChem CID 184639) has the molecular formula C12H14ClN5O3S and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-hydroxypropanoic acid.

Molecular Properties

Compound NameTizanidine lactate
PubChem CID184639
Molecular FormulaC12H14ClN5O3S
Molecular Weight343.79 g/mol
Exact Mass343.05
IUPAC Name5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-hydroxypropanoic acid
SMILESCC(C(=O)O)O.C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
InChIInChI=1S/C9H8ClN5S.C3H6O3/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;1-2(4)3(5)6/h1-2H,3-4H2,(H2,11,12,13);2,4H,1H3,(H,5,6)
InChIKeyLIVDAGUZLLMLHS-UHFFFAOYSA-N
XLogP—
TPSA148.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity359

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Tizanidine
CID 5487
Tizanidine Hydrochloride
CID 114869
Tizanidin e
CID 16413927
Hydroxy tizanidine, (+-)-
CID 46781916
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-d4
CID 44539519
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydron;chloride
CID 91980568
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine chloride
CID 51371300
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 126456190
5-chloro-N-(1-methyl-4,5-dihydroimidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 143733554

Frequently Asked Questions

What is the IUPAC name of Tizanidine lactate?
The IUPAC name of Tizanidine lactate (CID 184639) is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-hydroxypropanoic acid.
What is the SMILES notation for Tizanidine lactate?
The canonical SMILES for Tizanidine lactate is CC(C(=O)O)O.C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.
What is the InChIKey of Tizanidine lactate?
The InChIKey is LIVDAGUZLLMLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S.C3H6O3/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;1-2(4)3(5)6/h1-2H,3-4H2,(H2,11,12,13);2,4H,1H3,(H,5,6).
What are the key properties of Tizanidine lactate?
Tizanidine lactate has a molecular weight of 343.79 g/mol, XLogP of not available, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tizanidine lactate is sourced from PubChem (CID 184639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).