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

C14H20N4O2S — CID 116741420

IUPAC1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCCOC1(c2noc(-c3csc(C(C)N)n3)n2)CCCC1
InChIInChI=1S/C14H20N4O2S/c1-3-19-14(6-4-5-7-14)13-17-11(20-18-13)10-8-21-12(16-10)9(2)15/h8-9H,3-7,15H2,1-2H3
InChIKeyHKEWOFJDLHLPQF-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.02
Rot. Bonds5

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

1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 116741420) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID116741420
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCCOC1(c2noc(-c3csc(C(C)N)n3)n2)CCCC1
InChIInChI=1S/C14H20N4O2S/c1-3-19-14(6-4-5-7-14)13-17-11(20-18-13)10-8-21-12(16-10)9(2)15/h8-9H,3-7,15H2,1-2H3
InChIKeyHKEWOFJDLHLPQF-UHFFFAOYSA-N
XLogP3.02
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
2-[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116701367
[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
1-[4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116704251
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 116741420) is 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CCOC1(c2noc(-c3csc(C(C)N)n3)n2)CCCC1.
What is the InChIKey of 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is HKEWOFJDLHLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-19-14(6-4-5-7-14)13-17-11(20-18-13)10-8-21-12(16-10)9(2)15/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 308.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116741420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).