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

C13H24N2OS — CID 62444186

IUPACN-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
SMILESCCNCCCC(C)OCCc1scnc1C
InChIInChI=1S/C13H24N2OS/c1-4-14-8-5-6-11(2)16-9-7-13-12(3)15-10-17-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDWYRTCHANQRVTN-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.79
Rot. Bonds9

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

N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine (PubChem CID 62444186) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
PubChem CID62444186
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
SMILESCCNCCCC(C)OCCc1scnc1C
InChIInChI=1S/C13H24N2OS/c1-4-14-8-5-6-11(2)16-9-7-13-12(3)15-10-17-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDWYRTCHANQRVTN-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.79
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

methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 55077594
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
CID 83126880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The IUPAC name of N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine (CID 62444186) is N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The canonical SMILES for N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine is CCNCCCC(C)OCCc1scnc1C.
What is the InChIKey of N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The InChIKey is DWYRTCHANQRVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-14-8-5-6-11(2)16-9-7-13-12(3)15-10-17-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine has a molecular weight of 256.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine is sourced from PubChem (CID 62444186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).