2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-

C9H9N5S — CID 11806186

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESC1CN=C(N1)NC2=CC=CC3=NSN=C32
InChIInChI=1S/C9H9N5S/c1-2-6(12-9-10-4-5-11-9)8-7(3-1)13-15-14-8/h1-3H,4-5H2,(H2,10,11,12)
InChIKeyLQKZBTDCGZTIQV-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.50
Rot. Bonds2

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

2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)- (PubChem CID 11806186) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-
PubChem CID11806186
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESC1CN=C(N1)NC2=CC=CC3=NSN=C32
InChIInChI=1S/C9H9N5S/c1-2-6(12-9-10-4-5-11-9)8-7(3-1)13-15-14-8/h1-3H,4-5H2,(H2,10,11,12)
InChIKeyLQKZBTDCGZTIQV-UHFFFAOYSA-N
XLogP0.50
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity269

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tizanidine
CID 5487
Tizanidine Hydrochloride
CID 114869
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
Tizanidin e
CID 16413927
3-(2,1,3-Benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea
CID 1072934
1-(2,1,3-Benzothiadiazol-5-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 778344
N-2,1,3-benzothiadiazol-5-yl-N'-cyclohexylthiourea
CID 804023
N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide
CID 804116
N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarbothioamide
CID 804205
1-Benzo[1,2,5]thiadiazol-5-yl-3-cyclohexyl-urea
CID 1072944
N,N-diallyl-N'-2,1,3-benzothiadiazol-5-ylthiourea
CID 4177514
1-Pentylbenzimidazole-2,4-diamine
CID 117889806

Frequently Asked Questions

What is the IUPAC name of 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-?
The IUPAC name of 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)- (CID 11806186) is N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-?
The canonical SMILES for 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)- is C1CN=C(N1)NC2=CC=CC3=NSN=C32.
What is the InChIKey of 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-?
The InChIKey is LQKZBTDCGZTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c1-2-6(12-9-10-4-5-11-9)8-7(3-1)13-15-14-8/h1-3H,4-5H2,(H2,10,11,12).
What are the key properties of 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)-?
2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)- has a molecular weight of 219.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-Benzothiadiazol-4-amine, N-(4,5-dihydro-1H-imidazol-2-yl)- is sourced from PubChem (CID 11806186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).