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

C12H11N5OS — CID 66373458

IUPAC1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(-c3cccnc3)no2)cs1
InChIInChI=1S/C12H11N5OS/c1-7(13)12-15-9(6-19-12)11-16-10(17-18-11)8-3-2-4-14-5-8/h2-7H,13H2,1H3
InChIKeyAXPSAMPWVYBKRU-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.27
Rot. Bonds3

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

1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373458) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66373458
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(-c3cccnc3)no2)cs1
InChIInChI=1S/C12H11N5OS/c1-7(13)12-15-9(6-19-12)11-16-10(17-18-11)8-3-2-4-14-5-8/h2-7H,13H2,1H3
InChIKeyAXPSAMPWVYBKRU-UHFFFAOYSA-N
XLogP2.27
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
1-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375397
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799668
1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373078
1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
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
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (CID 66373458) is 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(-c3cccnc3)no2)cs1.
What is the InChIKey of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is AXPSAMPWVYBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7(13)12-15-9(6-19-12)11-16-10(17-18-11)8-3-2-4-14-5-8/h2-7H,13H2,1H3.
What are the key properties of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 273.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).