5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H16N4OS — CID 96666803

IUPAC5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(CCOc2ccccc2N)s1
InChIInChI=1S/C12H16N4OS/c1-16(2)12-15-14-11(18-12)7-8-17-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3
InChIKeyGBXUFTYAFRSXQT-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.81
Rot. Bonds5

About 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 96666803) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID96666803
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(CCOc2ccccc2N)s1
InChIInChI=1S/C12H16N4OS/c1-16(2)12-15-14-11(18-12)7-8-17-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3
InChIKeyGBXUFTYAFRSXQT-UHFFFAOYSA-N
XLogP1.81
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]aniline
CID 96666515
5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82480391
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
3-(2-aminophenoxy)propanamide
CID 39869131
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 96666803) is 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(CCOc2ccccc2N)s1.
What is the InChIKey of 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GBXUFTYAFRSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16(2)12-15-14-11(18-12)7-8-17-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96666803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).