5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine

C14H26N2OS — CID 55077695

IUPAC5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
SMILESCCCNCCCCCOCCc1scnc1C
InChIInChI=1S/C14H26N2OS/c1-3-8-15-9-5-4-6-10-17-11-7-14-13(2)16-12-18-14/h12,15H,3-11H2,1-2H3
InChIKeyUNTJPLSMAAFBCB-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds11

About 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine

5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine (PubChem CID 55077695) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
PubChem CID55077695
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
SMILESCCCNCCCCCOCCc1scnc1C
InChIInChI=1S/C14H26N2OS/c1-3-8-15-9-5-4-6-10-17-11-7-14-13(2)16-12-18-14/h12,15H,3-11H2,1-2H3
InChIKeyUNTJPLSMAAFBCB-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.18
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-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62443422
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80624096
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine?
The IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine (CID 55077695) is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine?
The canonical SMILES for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine is CCCNCCCCCOCCc1scnc1C.
What is the InChIKey of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine?
The InChIKey is UNTJPLSMAAFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-8-15-9-5-4-6-10-17-11-7-14-13(2)16-12-18-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine?
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 55077695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).