Skip to content

N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine

C16H14N2OS — CID 116811791

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyQOEDESPHBHKDPH-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.64
Rot. Bonds4

About N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine

N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 116811791) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID116811791
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyQOEDESPHBHKDPH-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-(3-phenoxyphenyl)-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 N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine (CID 116811791) is N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine is CNc1ncc(-c2cccc(Oc3ccccc3)c2)s1.
What is the InChIKey of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QOEDESPHBHKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.