4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine

C17H16N2O2S — CID 28857922

IUPAC4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2OCCOc2ccccc2)cs1
InChIInChI=1S/C17H16N2O2S/c18-17-19-15(12-22-17)14-8-4-5-9-16(14)21-11-10-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19)
InChIKeyJDJFBMBYFDTZEO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.85
Rot. Bonds6

About 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine

4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 28857922) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID28857922
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2OCCOc2ccccc2)cs1
InChIInChI=1S/C17H16N2O2S/c18-17-19-15(12-22-17)14-8-4-5-9-16(14)21-11-10-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19)
InChIKeyJDJFBMBYFDTZEO-UHFFFAOYSA-N
XLogP3.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
CID 28857824
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
4-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491
[5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846749
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine (CID 28857922) is 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2OCCOc2ccccc2)cs1.
What is the InChIKey of 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is JDJFBMBYFDTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-17-19-15(12-22-17)14-8-4-5-9-16(14)21-11-10-20-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19).
What are the key properties of 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine?
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 312.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28857922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).