(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

C13H15N3O3S — CID 124609222

IUPAC(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C13H15N3O3S/c1-2-9-12(20-15-14-9)13(17)16-5-7-19-11(8-16)10-4-3-6-18-10/h3-4,6,11H,2,5,7-8H2,1H3/t11-/m0/s1
InChIKeyIXWSMVRDVHQQED-NSHDSACASA-N
MW293.35 g/mol
LogP1.91
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (PubChem CID 124609222) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
PubChem CID124609222
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C13H15N3O3S/c1-2-9-12(20-15-14-9)13(17)16-5-7-19-11(8-16)10-4-3-6-18-10/h3-4,6,11H,2,5,7-8H2,1H3/t11-/m0/s1
InChIKeyIXWSMVRDVHQQED-NSHDSACASA-N
XLogP1.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95583727
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609246
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
(3R,4R)-4-cyclopropyl-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979576
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (CID 124609222) is (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCO[C@H](c2ccco2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The InChIKey is IXWSMVRDVHQQED-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-9-12(20-15-14-9)13(17)16-5-7-19-11(8-16)10-4-3-6-18-10/h3-4,6,11H,2,5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone has a molecular weight of 293.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124609222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).