[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone

C8H11N3O3S — CID 81207989

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(CO)C1
InChIInChI=1S/C8H11N3O3S/c12-5-6-4-11(1-2-14-6)8(13)7-3-9-10-15-7/h3,6,12H,1-2,4-5H2
InChIKeyLUVNFUYKFJUTOV-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.63
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone

[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (PubChem CID 81207989) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
PubChem CID81207989
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(CO)C1
InChIInChI=1S/C8H11N3O3S/c12-5-6-4-11(1-2-14-6)8(13)7-3-9-10-15-7/h3,6,12H,1-2,4-5H2
InChIKeyLUVNFUYKFJUTOV-UHFFFAOYSA-N
XLogP-0.63
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (CID 81207989) is [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is LUVNFUYKFJUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-5-6-4-11(1-2-14-6)8(13)7-3-9-10-15-7/h3,6,12H,1-2,4-5H2.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
[2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 229.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 81207989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).