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

C13H22N2OS — CID 103782650

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)C2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-9(12-4-6-16-7-5-12)14-10(2)13-8-17-11(3)15-13/h8-10,12,14H,4-7H2,1-3H3
InChIKeyJMYXRXLLXSOWIV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.92
Rot. Bonds4

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103782650) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID103782650
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)C2CCOCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-9(12-4-6-16-7-5-12)14-10(2)13-8-17-11(3)15-13/h8-10,12,14H,4-7H2,1-3H3
InChIKeyJMYXRXLLXSOWIV-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670008
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113348796
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
CID 43670089
1-(1-benzofuran-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43722038
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786000
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 115742030
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine (CID 103782650) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine is Cc1nc(C(C)NC(C)C2CCOCC2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is JMYXRXLLXSOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(12-4-6-16-7-5-12)14-10(2)13-8-17-11(3)15-13/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103782650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).