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

C13H23N3OS — CID 113387352

IUPAC4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine
SMILESCCc1cnc(C(C)NCC2(N)CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-11-8-15-12(18-11)10(2)16-9-13(14)4-6-17-7-5-13/h8,10,16H,3-7,9,14H2,1-2H3
InChIKeyOIZJAGVWYOPQAB-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds5

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

4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine (PubChem CID 113387352) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine
PubChem CID113387352
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine
SMILESCCc1cnc(C(C)NCC2(N)CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-11-8-15-12(18-11)10(2)16-9-13(14)4-6-17-7-5-13/h8,10,16H,3-7,9,14H2,1-2H3
InChIKeyOIZJAGVWYOPQAB-UHFFFAOYSA-N
XLogP1.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 112696883
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 116680390
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 113387190

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine?
The IUPAC name of 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine (CID 113387352) is 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine is CCc1cnc(C(C)NCC2(N)CCOCC2)s1.
What is the InChIKey of 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine?
The InChIKey is OIZJAGVWYOPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-11-8-15-12(18-11)10(2)16-9-13(14)4-6-17-7-5-13/h8,10,16H,3-7,9,14H2,1-2H3.
What are the key properties of 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine?
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine has a molecular weight of 269.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine is sourced from PubChem (CID 113387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).