(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone

C15H16FN3O2S — CID 38375106

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O2S/c1-2-12-14(22-18-17-12)15(20)19-7-8-21-13(9-19)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyQBKXLSQALWYIME-ZDUSSCGKSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 38375106) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID38375106
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O2S/c1-2-12-14(22-18-17-12)15(20)19-7-8-21-13(9-19)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyQBKXLSQALWYIME-ZDUSSCGKSA-N
XLogP2.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 38375106) is (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is QBKXLSQALWYIME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-2-12-14(22-18-17-12)15(20)19-7-8-21-13(9-19)10-3-5-11(16)6-4-10/h3-6,13H,2,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 38375106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).