3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C13H12N4OS — CID 64993449

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1nccs1
InChIInChI=1S/C13H12N4OS/c1-9(13-14-5-6-19-13)16-11-4-2-3-10(7-11)12-17-15-8-18-12/h2-9,16H,1H3
InChIKeyNTHGQGVJRHYVCW-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.37
Rot. Bonds4

About 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64993449) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64993449
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(-c2nnco2)c1)c1nccs1
InChIInChI=1S/C13H12N4OS/c1-9(13-14-5-6-19-13)16-11-4-2-3-10(7-11)12-17-15-8-18-12/h2-9,16H,1H3
InChIKeyNTHGQGVJRHYVCW-UHFFFAOYSA-N
XLogP3.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43206471
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930
N-[1-(3-bromophenyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206435
3-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206455
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 63751911
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]butan-2-ol
CID 65333020
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64993449) is 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1cccc(-c2nnco2)c1)c1nccs1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is NTHGQGVJRHYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9(13-14-5-6-19-13)16-11-4-2-3-10(7-11)12-17-15-8-18-12/h2-9,16H,1H3.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 272.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64993449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).