3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol

C7H13N3O2S — CID 66176497

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol
SMILESCCc1nsc(NCC(O)CO)n1
InChIInChI=1S/C7H13N3O2S/c1-2-6-9-7(13-10-6)8-3-5(12)4-11/h5,11-12H,2-4H2,1H3,(H,8,9,10)
InChIKeyKQFBVEYOVVFCFM-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.13
Rot. Bonds5

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol (PubChem CID 66176497) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol
PubChem CID66176497
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol
SMILESCCc1nsc(NCC(O)CO)n1
InChIInChI=1S/C7H13N3O2S/c1-2-6-9-7(13-10-6)8-3-5(12)4-11/h5,11-12H,2-4H2,1H3,(H,8,9,10)
InChIKeyKQFBVEYOVVFCFM-UHFFFAOYSA-N
XLogP-0.13
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol (CID 66176497) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol is CCc1nsc(NCC(O)CO)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol?
The InChIKey is KQFBVEYOVVFCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-6-9-7(13-10-6)8-3-5(12)4-11/h5,11-12H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol has a molecular weight of 203.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).