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

C9H15N3O2S — CID 104633479

IUPAC2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(C2CCCCS2)n1
InChIInChI=1S/C9H15N3O2S/c10-6(5-13)8-11-9(14-12-8)7-3-1-2-4-15-7/h6-7,13H,1-5,10H2
InChIKeyVJKNZQLLAUCDJX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.02
Rot. Bonds3

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

2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633479) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633479
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(C2CCCCS2)n1
InChIInChI=1S/C9H15N3O2S/c10-6(5-13)8-11-9(14-12-8)7-3-1-2-4-15-7/h6-7,13H,1-5,10H2
InChIKeyVJKNZQLLAUCDJX-UHFFFAOYSA-N
XLogP1.02
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-(thian-2-yl)-1,2,4-oxadiazole
CID 112572106
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
2-amino-2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435308
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082953
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093
1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80637282
(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
ethyl 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 80620640
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 80637565

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633479) is 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(C2CCCCS2)n1.
What is the InChIKey of 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is VJKNZQLLAUCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-6(5-13)8-11-9(14-12-8)7-3-1-2-4-15-7/h6-7,13H,1-5,10H2.
What are the key properties of 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 229.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).