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

C8H10ClN3O2S — CID 81209766

IUPAC[2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(CCl)C1
InChIInChI=1S/C8H10ClN3O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-3,5H2
InChIKeyLHYBIFLIVIKPID-UHFFFAOYSA-N
MW247.71 g/mol
LogP0.62
Rot. Bonds2

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

[2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (PubChem CID 81209766) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
PubChem CID81209766
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(CCl)C1
InChIInChI=1S/C8H10ClN3O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-3,5H2
InChIKeyLHYBIFLIVIKPID-UHFFFAOYSA-N
XLogP0.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (CID 81209766) is [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is LHYBIFLIVIKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-3,5H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 247.71 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 81209766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).