[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone

C9H13N3O3S — CID 71785826

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CO
InChIInChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(14)12-2-3-15-5-7(12)4-13/h7,13H,2-5H2,1H3
InChIKeyAEAQECYAAZYKJN-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.32
Rot. Bonds2

About [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71785826) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71785826
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CO
InChIInChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(14)12-2-3-15-5-7(12)4-13/h7,13H,2-5H2,1H3
InChIKeyAEAQECYAAZYKJN-UHFFFAOYSA-N
XLogP-0.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71785826) is [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is AEAQECYAAZYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6-8(16-11-10-6)9(14)12-2-3-15-5-7(12)4-13/h7,13H,2-5H2,1H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 243.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71785826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).