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

C12H22N2OS — CID 115777834

IUPAC4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCCOCCCCNC(C)c1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-4-15-8-6-5-7-13-10(2)12-9-14-11(3)16-12/h9-10,13H,4-8H2,1-3H3
InChIKeyFEGMOYFPPGKFPI-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds8

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

4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (PubChem CID 115777834) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
PubChem CID115777834
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
SMILESCCOCCCCNC(C)c1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-4-15-8-6-5-7-13-10(2)12-9-14-11(3)16-12/h9-10,13H,4-8H2,1-3H3
InChIKeyFEGMOYFPPGKFPI-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
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-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 106815131
1-(2-methyl-1,3-thiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 115888868
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-ethoxypropan-1-amine
CID 115776636
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine (CID 115777834) is 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is CCOCCCCNC(C)c1cnc(C)s1.
What is the InChIKey of 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
The InChIKey is FEGMOYFPPGKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-15-8-6-5-7-13-10(2)12-9-14-11(3)16-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine?
4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine is sourced from PubChem (CID 115777834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).