5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine

C16H14N2O2S — CID 79762020

IUPAC5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N2O2S/c17-16-18-10-15(21-16)11-19-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,18)
InChIKeyCWLHSALBTPBBRS-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.10
Rot. Bonds5

About 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine

5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79762020) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79762020
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N2O2S/c17-16-18-10-15(21-16)11-19-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,18)
InChIKeyCWLHSALBTPBBRS-UHFFFAOYSA-N
XLogP4.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-phenoxyphenoxy)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine (CID 79762020) is 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(COc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is CWLHSALBTPBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-16-18-10-15(21-16)11-19-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,18).
What are the key properties of 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine?
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 298.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79762020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).