5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

C9H7Cl2N5S — CID 3039837

IUPAC5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NC1=NCCN1
InChIInChI=1S/C9H7Cl2N5S/c10-4-3-5(11)7-8(16-17-15-7)6(4)14-9-12-1-2-13-9/h3H,1-2H2,(H2,12,13,14)
InChIKeyCYEMNKXJFGQDDB-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.37
Rot. Bonds1

About 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 3039837) has the molecular formula C9H7Cl2N5S and a molecular weight of 288.16 g/mol. Its IUPAC name is 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID3039837
Molecular FormulaC9H7Cl2N5S
Molecular Weight288.16 g/mol
Exact Mass286.98
IUPAC Name5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NC1=NCCN1
InChIInChI=1S/C9H7Cl2N5S/c10-4-3-5(11)7-8(16-17-15-7)6(4)14-9-12-1-2-13-9/h3H,1-2H2,(H2,12,13,14)
InChIKeyCYEMNKXJFGQDDB-UHFFFAOYSA-N
XLogP2.37
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

Tizanidine
CID 5487
Tizanidine Hydrochloride
CID 114869
Tizanidin e
CID 16413927
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-[(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-d4
CID 44539519
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydron;chloride
CID 91980568

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 3039837) is 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is Clc1cc(Cl)c2nsnc2c1NC1=NCCN1.
What is the InChIKey of 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is CYEMNKXJFGQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5S/c10-4-3-5(11)7-8(16-17-15-7)6(4)14-9-12-1-2-13-9/h3H,1-2H2,(H2,12,13,14).
What are the key properties of 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 288.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 3039837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).