N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine

C14H16N2OS — CID 54862523

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
SMILESc1csc(-c2ccc(NC3CCOCC3)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-3-12(16-13-5-8-17-9-6-13)4-2-11(1)14-15-7-10-18-14/h1-4,7,10,13,16H,5-6,8-9H2
InChIKeyQSPIEKPIHSXMDA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine

N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine (PubChem CID 54862523) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
PubChem CID54862523
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
SMILESc1csc(-c2ccc(NC3CCOCC3)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-3-12(16-13-5-8-17-9-6-13)4-2-11(1)14-15-7-10-18-14/h1-4,7,10,13,16H,5-6,8-9H2
InChIKeyQSPIEKPIHSXMDA-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,3-thiazol-2-yl)phenyl]oxan-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 N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine (CID 54862523) is N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine is c1csc(-c2ccc(NC3CCOCC3)cc2)n1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine?
The InChIKey is QSPIEKPIHSXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-12(16-13-5-8-17-9-6-13)4-2-11(1)14-15-7-10-18-14/h1-4,7,10,13,16H,5-6,8-9H2.
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine?
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine has a molecular weight of 260.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 54862523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).