2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

C11H14N4O3S — CID 66373476

IUPAC2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc(C3COCCO3)no2)cs1
InChIInChI=1S/C11H14N4O3S/c12-2-1-9-13-7(6-19-9)11-14-10(15-18-11)8-5-16-3-4-17-8/h6,8H,1-5,12H2
InChIKeyQIWFTZACYFPOLB-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373476) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66373476
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc(C3COCCO3)no2)cs1
InChIInChI=1S/C11H14N4O3S/c12-2-1-9-13-7(6-19-9)11-14-10(15-18-11)8-5-16-3-4-17-8/h6,8H,1-5,12H2
InChIKeyQIWFTZACYFPOLB-UHFFFAOYSA-N
XLogP0.78
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine with MolForge

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Related Compounds

2-[4-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375015
[6-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 114286577
2-[4-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66372519
3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 65353797
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 114287316
2-[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116701367
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
2-[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373862
5-bromo-2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65353742
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65353326
4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65353841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 66373476) is 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2nc(C3COCCO3)no2)cs1.
What is the InChIKey of 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QIWFTZACYFPOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-2-1-9-13-7(6-19-9)11-14-10(15-18-11)8-5-16-3-4-17-8/h6,8H,1-5,12H2.
What are the key properties of 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 282.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).