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

C14H26N2S — CID 114004588

IUPAC2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCc1scnc1C
InChIInChI=1S/C14H26N2S/c1-4-6-7-13(5-2)10-15-9-8-14-12(3)16-11-17-14/h11,13,15H,4-10H2,1-3H3
InChIKeyAYCNKPLWNHOIFE-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.80
Rot. Bonds9

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

2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine (PubChem CID 114004588) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
PubChem CID114004588
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCc1scnc1C
InChIInChI=1S/C14H26N2S/c1-4-6-7-13(5-2)10-15-9-8-14-12(3)16-11-17-14/h11,13,15H,4-10H2,1-3H3
InChIKeyAYCNKPLWNHOIFE-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine (CID 114004588) is 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine is CCCCC(CC)CNCCc1scnc1C.
What is the InChIKey of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
The InChIKey is AYCNKPLWNHOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-6-7-13(5-2)10-15-9-8-14-12(3)16-11-17-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine?
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 114004588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).