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

C11H10N4OS2 — CID 66372888

IUPAC2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc(-c3cccs3)no2)cs1
InChIInChI=1S/C11H10N4OS2/c12-4-3-9-13-7(6-18-9)11-14-10(15-16-11)8-2-1-5-17-8/h1-2,5-6H,3-4,12H2
InChIKeyNGYDZYDEWMDYRK-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.42
Rot. Bonds4

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

2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66372888) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66372888
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc(-c3cccs3)no2)cs1
InChIInChI=1S/C11H10N4OS2/c12-4-3-9-13-7(6-18-9)11-14-10(15-16-11)8-2-1-5-17-8/h1-2,5-6H,3-4,12H2
InChIKeyNGYDZYDEWMDYRK-UHFFFAOYSA-N
XLogP2.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373851
2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 106847328
2-[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 104797902
2-[4-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375015
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
2-[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373862
2-[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372909
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
2-[4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373091
2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116702835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (CID 66372888) is 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2nc(-c3cccs3)no2)cs1.
What is the InChIKey of 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NGYDZYDEWMDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c12-4-3-9-13-7(6-18-9)11-14-10(15-16-11)8-2-1-5-17-8/h1-2,5-6H,3-4,12H2.
What are the key properties of 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).