2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one

C9H6ClN5OS — CID 125355057

IUPAC2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Nc2c(Cl)ccc3nsnc23)N1
InChIInChI=1S/C9H6ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2H,3H2,(H2,11,12,13,16)
InChIKeyUAPHNYZODWBPMU-UHFFFAOYSA-N
MW267.70 g/mol
LogP1.24
Rot. Bonds1

About 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one (PubChem CID 125355057) has the molecular formula C9H6ClN5OS and a molecular weight of 267.70 g/mol. Its IUPAC name is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one
PubChem CID125355057
Molecular FormulaC9H6ClN5OS
Molecular Weight267.70 g/mol
Exact Mass267.00
IUPAC Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(Nc2c(Cl)ccc3nsnc23)N1
InChIInChI=1S/C9H6ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2H,3H2,(H2,11,12,13,16)
InChIKeyUAPHNYZODWBPMU-UHFFFAOYSA-N
XLogP1.24
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one with MolForge

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Related Compounds

Tizanidine
CID 5487
Tizanidine Hydrochloride
CID 114869
Tizanidin e
CID 16413927
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-2-methylpropanamide
CID 1944394
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]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 lactate
CID 184639
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 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one (CID 125355057) is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one is O=C1CN=C(Nc2c(Cl)ccc3nsnc23)N1.
What is the InChIKey of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one?
The InChIKey is UAPHNYZODWBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2H,3H2,(H2,11,12,13,16).
What are the key properties of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one?
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one has a molecular weight of 267.70 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 125355057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).