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

C12H20N2O2S — CID 62441066

IUPACN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC2CCOCC2)cs1
InChIInChI=1S/C12H20N2O2S/c1-2-13-7-12-14-10(9-17-12)8-16-11-3-5-15-6-4-11/h9,11,13H,2-8H2,1H3
InChIKeyPZXCXAZAFDKBBL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.95
Rot. Bonds6

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

N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62441066) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62441066
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(COC2CCOCC2)cs1
InChIInChI=1S/C12H20N2O2S/c1-2-13-7-12-14-10(9-17-12)8-16-11-3-5-15-6-4-11/h9,11,13H,2-8H2,1H3
InChIKeyPZXCXAZAFDKBBL-UHFFFAOYSA-N
XLogP1.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 102608135
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114342496
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62443364
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62441066) is N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(COC2CCOCC2)cs1.
What is the InChIKey of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is PZXCXAZAFDKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-13-7-12-14-10(9-17-12)8-16-11-3-5-15-6-4-11/h9,11,13H,2-8H2,1H3.
What are the key properties of N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62441066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).