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

C11H14N4OS — CID 65208328

IUPACN-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOc2ccccc2N)s1
InChIInChI=1S/C11H14N4OS/c1-8-14-15-11(17-8)13-6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyYSWZIJBTAZOAKH-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208328) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65208328
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCOc2ccccc2N)s1
InChIInChI=1S/C11H14N4OS/c1-8-14-15-11(17-8)13-6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyYSWZIJBTAZOAKH-UHFFFAOYSA-N
XLogP1.92
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168628
N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 54915064
5-methyl-N-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 64914980
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103110802
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123661945
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 65208328) is N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCOc2ccccc2N)s1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YSWZIJBTAZOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-14-15-11(17-8)13-6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).