(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol

C4H7N3O2S — CID 118451831

IUPAC(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESNc1nc([C@H](O)CO)ns1
InChIInChI=1S/C4H7N3O2S/c5-4-6-3(7-10-4)2(9)1-8/h2,8-9H,1H2,(H2,5,6,7)/t2-/m1/s1
InChIKeyGHPXQINKGLVFEC-UWTATZPHSA-N
MW161.19 g/mol
LogP-0.85
Rot. Bonds2

About (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol

(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (PubChem CID 118451831) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
PubChem CID118451831
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESNc1nc([C@H](O)CO)ns1
InChIInChI=1S/C4H7N3O2S/c5-4-6-3(7-10-4)2(9)1-8/h2,8-9H,1H2,(H2,5,6,7)/t2-/m1/s1
InChIKeyGHPXQINKGLVFEC-UWTATZPHSA-N
XLogP-0.85
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Amino-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 21081457
1-(5-Propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90398015
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethanol
CID 174248175
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-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol
CID 66176497

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (CID 118451831) is (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is Nc1nc([C@H](O)CO)ns1.
What is the InChIKey of (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The InChIKey is GHPXQINKGLVFEC-UWTATZPHSA-N. The full InChI is InChI=1S/C4H7N3O2S/c5-4-6-3(7-10-4)2(9)1-8/h2,8-9H,1H2,(H2,5,6,7)/t2-/m1/s1.
What are the key properties of (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol has a molecular weight of 161.19 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 118451831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).