(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

C16H19N3O2S — CID 95583727

IUPAC(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H19N3O2S/c1-3-13-15(22-18-17-13)16(20)19-9-11(2)21-14(10-19)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyPCBUUEWFJKVUID-SMDDNHRTSA-N
MW317.41 g/mol
LogP2.70
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 95583727) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID95583727
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H19N3O2S/c1-3-13-15(22-18-17-13)16(20)19-9-11(2)21-14(10-19)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyPCBUUEWFJKVUID-SMDDNHRTSA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95142810
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914211
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 120625875
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258
(3R,4R)-4-cyclopropyl-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979576
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 95583727) is (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is CCc1nnsc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is PCBUUEWFJKVUID-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-13-15(22-18-17-13)16(20)19-9-11(2)21-14(10-19)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.70, 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)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 95583727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).