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

C9H9N5S — CID 11806186

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESc1cc(NC2=NCCN2)c2nsnc2c1
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
LogP1.06
Rot. Bonds1

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

N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (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 NameN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
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
SMILESc1cc(NC2=NCCN2)c2nsnc2c1
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
XLogP1.06
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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 N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 11806186) is N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is c1cc(NC2=NCCN2)c2nsnc2c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
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 N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 219.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 11806186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).