2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol

C10H13N3O2S2 — CID 2101842

IUPAC2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol
SMILESOCCNCCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3O2S2/c14-5-3-11-4-7-17-10-13-12-9(15-10)8-2-1-6-16-8/h1-2,6,11,14H,3-5,7H2
InChIKeyBTIKQTBBPJPOGW-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol

2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol (PubChem CID 2101842) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol
PubChem CID2101842
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol
SMILESOCCNCCSc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3O2S2/c14-5-3-11-4-7-17-10-13-12-9(15-10)8-2-1-6-16-8/h1-2,6,11,14H,3-5,7H2
InChIKeyBTIKQTBBPJPOGW-UHFFFAOYSA-N
XLogP1.47
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol?
The IUPAC name of 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol (CID 2101842) is 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol is OCCNCCSc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol?
The InChIKey is BTIKQTBBPJPOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c14-5-3-11-4-7-17-10-13-12-9(15-10)8-2-1-6-16-8/h1-2,6,11,14H,3-5,7H2.
What are the key properties of 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol?
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol has a molecular weight of 271.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol is sourced from PubChem (CID 2101842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).