2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine

C14H16N2OS — CID 83107402

IUPAC2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine
SMILESNc1csc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C14H16N2OS/c15-12-10-18-13(16-12)14(6-8-17-9-7-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyFMYXKUZWZBAASI-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine

2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine (PubChem CID 83107402) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine
PubChem CID83107402
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine
SMILESNc1csc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C14H16N2OS/c15-12-10-18-13(16-12)14(6-8-17-9-7-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyFMYXKUZWZBAASI-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-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 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine (CID 83107402) is 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine is Nc1csc(C2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine?
The InChIKey is FMYXKUZWZBAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-12-10-18-13(16-12)14(6-8-17-9-7-14)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2.
What are the key properties of 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine?
2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine has a molecular weight of 260.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyloxan-4-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 83107402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).