N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine

C17H22N2OS — CID 81177510

IUPACN-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CCCOC2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-2-18-11-15-16(13-7-4-3-5-8-13)19-17(21-15)14-9-6-10-20-12-14/h3-5,7-8,14,18H,2,6,9-12H2,1H3
InChIKeyXUXHIQCHOCFNQF-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.81
Rot. Bonds5

About N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 81177510) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID81177510
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CCCOC2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-2-18-11-15-16(13-7-4-3-5-8-13)19-17(21-15)14-9-6-10-20-12-14/h3-5,7-8,14,18H,2,6,9-12H2,1H3
InChIKeyXUXHIQCHOCFNQF-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 81177510) is N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2CCCOC2)nc1-c1ccccc1.
What is the InChIKey of N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is XUXHIQCHOCFNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-18-11-15-16(13-7-4-3-5-8-13)19-17(21-15)14-9-6-10-20-12-14/h3-5,7-8,14,18H,2,6,9-12H2,1H3.
What are the key properties of N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 81177510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).