N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine

C9H11N3OS — CID 106393064

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCc1ncon1)c1ccsc1
InChIInChI=1S/C9H11N3OS/c1-7(8-2-3-14-5-8)10-4-9-11-6-13-12-9/h2-3,5-7,10H,4H2,1H3
InChIKeyGSQQTLFTNPKNOJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine (PubChem CID 106393064) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
PubChem CID106393064
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCc1ncon1)c1ccsc1
InChIInChI=1S/C9H11N3OS/c1-7(8-2-3-14-5-8)10-4-9-11-6-13-12-9/h2-3,5-7,10H,4H2,1H3
InChIKeyGSQQTLFTNPKNOJ-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392519
1-(1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393940
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 106392827
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393492
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine (CID 106393064) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine is CC(NCc1ncon1)c1ccsc1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine?
The InChIKey is GSQQTLFTNPKNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7(8-2-3-14-5-8)10-4-9-11-6-13-12-9/h2-3,5-7,10H,4H2,1H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine has a molecular weight of 209.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 106393064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).