N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine

C11H18N2OS — CID 115656577

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
SMILESCCc1cnc(CNC2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-10-7-13-11(15-10)8-12-9-3-5-14-6-4-9/h7,9,12H,2-6,8H2,1H3
InChIKeyRBZICMYHJXEKLY-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine (PubChem CID 115656577) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
PubChem CID115656577
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
SMILESCCc1cnc(CNC2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-10-7-13-11(15-10)8-12-9-3-5-14-6-4-9/h7,9,12H,2-6,8H2,1H3
InChIKeyRBZICMYHJXEKLY-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
CID 103911030
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 115724910
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 131065715
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine (CID 115656577) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine is CCc1cnc(CNC2CCOCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The InChIKey is RBZICMYHJXEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-10-7-13-11(15-10)8-12-9-3-5-14-6-4-9/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115656577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).