N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine

C18H22N6O2S — CID 68716371

IUPACN'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(CCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1
InChIInChI=1S/C18H22N6O2S/c1-22(2)9-10-23(18-20-17(21-27-18)24-8-6-19-12-24)7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,6,8,11-12H,5,7,9-10,13H2,1-2H3
InChIKeyRCHHADRROVFDDH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.06
Rot. Bonds8

About N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine

N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 68716371) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID68716371
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(CCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1
InChIInChI=1S/C18H22N6O2S/c1-22(2)9-10-23(18-20-17(21-27-18)24-8-6-19-12-24)7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,6,8,11-12H,5,7,9-10,13H2,1-2H3
InChIKeyRCHHADRROVFDDH-UHFFFAOYSA-N
XLogP2.06
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methyl-1,2,4-thiadiazol-5-amine
CID 11603670
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine
CID 11538267
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine;hexanedioic acid
CID 16750411
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 58654323
4-[5-(1,3-benzodioxol-5-yl)-2-methylpentan-2-yl]-2-imidazol-1-yl-6-methylpyrimidine;hydrazine;hydrochloride
CID 68697142
ethyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 58654391
N-[2-(7H-cyclohepta[d][1,3]dioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 143237320
N'-[2-(1,3-benzodioxol-5-ylmethyl)-6-(4-imidazol-1-ylphenoxy)-5-methylpyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine;hydrochloride
CID 18629080
1-N-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-1-N-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 91434396
N'-[2-(1,3-benzodioxol-5-ylmethyl)-6-(4-imidazol-1-ylphenoxy)-5-methylpyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 10207202
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 22402328
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-hydroxy-1-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 69419236

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine (CID 68716371) is N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine is CN(C)CCN(CCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1.
What is the InChIKey of N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is RCHHADRROVFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-22(2)9-10-23(18-20-17(21-27-18)24-8-6-19-12-24)7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,6,8,11-12H,5,7,9-10,13H2,1-2H3.
What are the key properties of N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine?
N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 386.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 68716371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).