N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C15H20N2OS — CID 62543860

IUPACN-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2OCC)cs1
InChIInChI=1S/C15H20N2OS/c1-3-9-16-10-15-17-13(11-19-15)12-7-5-6-8-14(12)18-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyQCHRKQAXPSQJSG-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.71
Rot. Bonds7

About N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62543860) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62543860
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2OCC)cs1
InChIInChI=1S/C15H20N2OS/c1-3-9-16-10-15-17-13(11-19-15)12-7-5-6-8-14(12)18-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyQCHRKQAXPSQJSG-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62543860) is N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccccc2OCC)cs1.
What is the InChIKey of N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is QCHRKQAXPSQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-9-16-10-15-17-13(11-19-15)12-7-5-6-8-14(12)18-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62543860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).