N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine

C11H18N2OS — CID 115879207

IUPACN-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1cscn1
InChIInChI=1S/C11H18N2OS/c1-9(11-7-15-8-13-11)12-6-10-2-4-14-5-3-10/h7-10,12H,2-6H2,1H3
InChIKeyNMHIWMUCUAZDAS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.22
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine

N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879207) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879207
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CCOCC1)c1cscn1
InChIInChI=1S/C11H18N2OS/c1-9(11-7-15-8-13-11)12-6-10-2-4-14-5-3-10/h7-10,12H,2-6H2,1H3
InChIKeyNMHIWMUCUAZDAS-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113486901
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine
CID 114192203
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 102976529
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
[4-[1-(1,3-thiazol-4-yl)ethylamino]cyclohexyl]methanol
CID 103881440

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine (CID 115879207) is N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine is CC(NCC1CCOCC1)c1cscn1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is NMHIWMUCUAZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(11-7-15-8-13-11)12-6-10-2-4-14-5-3-10/h7-10,12H,2-6H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 226.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).