N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine

C12H20N2OS — CID 116968368

IUPACN-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCCc1nc(C2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-13-6-3-12-14-11(9-16-12)10-4-7-15-8-5-10/h9-10,13H,2-8H2,1H3
InChIKeyUETLGDRTUONOND-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine

N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 116968368) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID116968368
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCCc1nc(C2CCOCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-13-6-3-12-14-11(9-16-12)10-4-7-15-8-5-10/h9-10,13H,2-8H2,1H3
InChIKeyUETLGDRTUONOND-UHFFFAOYSA-N
XLogP2.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.19
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-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968802
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214
3-methyl-2-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969790
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
CID 122142391
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine (CID 116968368) is N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine is CCNCCc1nc(C2CCOCC2)cs1.
What is the InChIKey of N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UETLGDRTUONOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-13-6-3-12-14-11(9-16-12)10-4-7-15-8-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine?
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116968368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).