3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol

C13H12N4O2S — CID 107921033

IUPAC3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(N)c1nc(-c2nc(-c3cccc(O)c3)no2)cs1
InChIInChI=1S/C13H12N4O2S/c1-7(14)13-15-10(6-20-13)12-16-11(17-19-12)8-3-2-4-9(18)5-8/h2-7,18H,14H2,1H3
InChIKeyLIXKPYMRQAXZJN-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.59
Rot. Bonds3

About 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 107921033) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID107921033
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(N)c1nc(-c2nc(-c3cccc(O)c3)no2)cs1
InChIInChI=1S/C13H12N4O2S/c1-7(14)13-15-10(6-20-13)12-16-11(17-19-12)8-3-2-4-9(18)5-8/h2-7,18H,14H2,1H3
InChIKeyLIXKPYMRQAXZJN-UHFFFAOYSA-N
XLogP2.59
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373458
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
1-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375397
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373090
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632032
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799668
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol (CID 107921033) is 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol is CC(N)c1nc(-c2nc(-c3cccc(O)c3)no2)cs1.
What is the InChIKey of 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is LIXKPYMRQAXZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7(14)13-15-10(6-20-13)12-16-11(17-19-12)8-3-2-4-9(18)5-8/h2-7,18H,14H2,1H3.
What are the key properties of 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 288.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 107921033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).