2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol

C10H19N3OS — CID 65274658

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-5-13(6-7-14)9-11-8(12-15-9)10(2,3)4/h14H,5-7H2,1-4H3
InChIKeySUQUXDONGUHSDO-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol (PubChem CID 65274658) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
PubChem CID65274658
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-5-13(6-7-14)9-11-8(12-15-9)10(2,3)4/h14H,5-7H2,1-4H3
InChIKeySUQUXDONGUHSDO-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol (CID 65274658) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol is CCN(CCO)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
The InChIKey is SUQUXDONGUHSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-13(6-7-14)9-11-8(12-15-9)10(2,3)4/h14H,5-7H2,1-4H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol has a molecular weight of 229.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-ethylamino]ethanol is sourced from PubChem (CID 65274658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).