2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol

C10H13N3O2S — CID 106435304

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1nonc1CNCC(O)c1ccsc1
InChIInChI=1S/C10H13N3O2S/c1-7-9(13-15-12-7)4-11-5-10(14)8-2-3-16-6-8/h2-3,6,10-11,14H,4-5H2,1H3
InChIKeyKQRXENVIZODEHL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.26
Rot. Bonds5

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 106435304) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID106435304
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1nonc1CNCC(O)c1ccsc1
InChIInChI=1S/C10H13N3O2S/c1-7-9(13-15-12-7)4-11-5-10(14)8-2-3-16-6-8/h2-3,6,10-11,14H,4-5H2,1H3
InChIKeyKQRXENVIZODEHL-UHFFFAOYSA-N
XLogP1.26
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 66170575
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 114188500

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol (CID 106435304) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol is Cc1nonc1CNCC(O)c1ccsc1.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is KQRXENVIZODEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-9(13-15-12-7)4-11-5-10(14)8-2-3-16-6-8/h2-3,6,10-11,14H,4-5H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 239.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).