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

C17H24N2OS — CID 116730641

IUPACN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(CC)OCC)sc1-c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyVAOJKZGRFMICKK-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.41
Rot. Bonds8

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

N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116730641) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116730641
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(CC)OCC)sc1-c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyVAOJKZGRFMICKK-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine 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-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (CID 116730641) is N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1nc(C(CC)OCC)sc1-c1ccccc1.
What is the InChIKey of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is VAOJKZGRFMICKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116730641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).