N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine

C16H23N3OS — CID 106907682

IUPACN-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCc2scnc2C)n1
InChIInChI=1S/C16H23N3OS/c1-3-8-17-10-14-5-4-6-15(19-14)11-20-9-7-16-13(2)18-12-21-16/h4-6,12,17H,3,7-11H2,1-2H3
InChIKeyBWTOZMGBEYIANG-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.11
Rot. Bonds9

About N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907682) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907682
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COCCc2scnc2C)n1
InChIInChI=1S/C16H23N3OS/c1-3-8-17-10-14-5-4-6-15(19-14)11-20-9-7-16-13(2)18-12-21-16/h4-6,12,17H,3,7-11H2,1-2H3
InChIKeyBWTOZMGBEYIANG-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine (CID 106907682) is N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COCCc2scnc2C)n1.
What is the InChIKey of N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is BWTOZMGBEYIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-8-17-10-14-5-4-6-15(19-14)11-20-9-7-16-13(2)18-12-21-16/h4-6,12,17H,3,7-11H2,1-2H3.
What are the key properties of N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).