3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol

C5H9N3O2S — CID 66176924

IUPAC3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ncns1
InChIInChI=1S/C5H9N3O2S/c9-2-4(10)1-6-5-7-3-8-11-5/h3-4,9-10H,1-2H2,(H,6,7,8)
InChIKeySKCLLAVINYVNAT-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.70
Rot. Bonds4

About 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol

3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol (PubChem CID 66176924) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol
PubChem CID66176924
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ncns1
InChIInChI=1S/C5H9N3O2S/c9-2-4(10)1-6-5-7-3-8-11-5/h3-4,9-10H,1-2H2,(H,6,7,8)
InChIKeySKCLLAVINYVNAT-UHFFFAOYSA-N
XLogP-0.70
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol (CID 66176924) is 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol is OCC(O)CNc1ncns1.
What is the InChIKey of 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol?
The InChIKey is SKCLLAVINYVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c9-2-4(10)1-6-5-7-3-8-11-5/h3-4,9-10H,1-2H2,(H,6,7,8).
What are the key properties of 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol?
3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol has a molecular weight of 175.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-thiadiazol-5-ylamino)propane-1,2-diol is sourced from PubChem (CID 66176924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).