2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol

C10H13N3O2S — CID 104826974

IUPAC2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1sc(N)c(-c2nc(CCO)no2)c1C
InChIInChI=1S/C10H13N3O2S/c1-5-6(2)16-9(11)8(5)10-12-7(3-4-14)13-15-10/h14H,3-4,11H2,1-2H3
InChIKeyGASHMUKRTKEDRF-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.53
Rot. Bonds3

About 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol

2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104826974) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104826974
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1sc(N)c(-c2nc(CCO)no2)c1C
InChIInChI=1S/C10H13N3O2S/c1-5-6(2)16-9(11)8(5)10-12-7(3-4-14)13-15-10/h14H,3-4,11H2,1-2H3
InChIKeyGASHMUKRTKEDRF-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329946
4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43109078
3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 116704292
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63555394
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 116703458

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104826974) is 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1sc(N)c(-c2nc(CCO)no2)c1C.
What is the InChIKey of 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is GASHMUKRTKEDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5-6(2)16-9(11)8(5)10-12-7(3-4-14)13-15-10/h14H,3-4,11H2,1-2H3.
What are the key properties of 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 239.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104826974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).