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

C12H15N3OS — CID 54915064

IUPACN-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCOc2ccccc2N)n1
InChIInChI=1S/C12H15N3OS/c1-9-8-17-12(15-9)14-6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyADYVZRAXCCVTKV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.52
Rot. Bonds5

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

N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 54915064) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID54915064
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCOc2ccccc2N)n1
InChIInChI=1S/C12H15N3OS/c1-9-8-17-12(15-9)14-6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyADYVZRAXCCVTKV-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168628
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
CID 131025758
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 106404911
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 54915064) is N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCCOc2ccccc2N)n1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ADYVZRAXCCVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-8-17-12(15-9)14-6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54915064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).