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

C4H7N3OS — CID 174248175

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol
SMILESCC(O)c1nsc(N)n1
InChIInChI=1S/C4H7N3OS/c1-2(8)3-6-4(5)9-7-3/h2,8H,1H3,(H2,5,6,7)
InChIKeyOZXDJXPNVUXXHA-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.17
Rot. Bonds1

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

1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol (PubChem CID 174248175) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol
PubChem CID174248175
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol
SMILESCC(O)c1nsc(N)n1
InChIInChI=1S/C4H7N3OS/c1-2(8)3-6-4(5)9-7-3/h2,8H,1H3,(H2,5,6,7)
InChIKeyOZXDJXPNVUXXHA-UHFFFAOYSA-N
XLogP0.17
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
1-(5-Amino-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 21081457
(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 118451831
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethyl cyanomethanimidate
CID 174722147
1-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-lambda4-sulfanylidene)ethane-1,2-diol
CID 175256286
2-(5-Amino-1,2,4-thiadiazol-3-yl)ethanol
CID 45078915
3-(1-Ethoxyethyl)-1,2,4-thiadiazol-5-amine
CID 64539845
1-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65268033
1-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65271273
2-Amino-1-(5-methoxy-1,2,4-thiadiazol-3-yl)ethanol
CID 82653650

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol (CID 174248175) is 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol is CC(O)c1nsc(N)n1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol?
The InChIKey is OZXDJXPNVUXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-2(8)3-6-4(5)9-7-3/h2,8H,1H3,(H2,5,6,7).
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol?
1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol has a molecular weight of 145.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 174248175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).