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

C12H20N2OS — CID 115655281

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1nc(CNC(C)C2CCOC2)cs1
InChIInChI=1S/C12H20N2OS/c1-3-12-14-11(8-16-12)6-13-9(2)10-4-5-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyGJWAGWXIRHNAAT-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115655281) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115655281
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1nc(CNC(C)C2CCOC2)cs1
InChIInChI=1S/C12H20N2OS/c1-3-12-14-11(8-16-12)6-13-9(2)10-4-5-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyGJWAGWXIRHNAAT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
N-ethyl-N-[4-[[1-(oxolan-3-yl)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115655333
N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115727626
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207
N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
CID 122151355
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115655281) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine is CCc1nc(CNC(C)C2CCOC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is GJWAGWXIRHNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-12-14-11(8-16-12)6-13-9(2)10-4-5-15-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115655281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).