2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol

C5H9N3O2S — CID 82653650

IUPAC2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol
SMILESCOc1nc(C(O)CN)ns1
InChIInChI=1S/C5H9N3O2S/c1-10-5-7-4(8-11-5)3(9)2-6/h3,9H,2,6H2,1H3
InChIKeyKJHGHQZZFBSNDP-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.46
Rot. Bonds3

About 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol

2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol (PubChem CID 82653650) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol
PubChem CID82653650
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol
SMILESCOc1nc(C(O)CN)ns1
InChIInChI=1S/C5H9N3O2S/c1-10-5-7-4(8-11-5)3(9)2-6/h3,9H,2,6H2,1H3
InChIKeyKJHGHQZZFBSNDP-UHFFFAOYSA-N
XLogP-0.46
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol (CID 82653650) is 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol is COc1nc(C(O)CN)ns1.
What is the InChIKey of 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol?
The InChIKey is KJHGHQZZFBSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-10-5-7-4(8-11-5)3(9)2-6/h3,9H,2,6H2,1H3.
What are the key properties of 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol?
2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol has a molecular weight of 175.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 82653650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).