[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C16H17FN2O2S — CID 25313075

IUPAC[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m0/s1
InChIKeyKYFUGYQHADZTIC-AWEZNQCLSA-N
MW320.39 g/mol
LogP2.67
Rot. Bonds3

About [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 25313075) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID25313075
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m0/s1
InChIKeyKYFUGYQHADZTIC-AWEZNQCLSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 81484968
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24672373
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 71733114

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 25313075) is [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cs1.
What is the InChIKey of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is KYFUGYQHADZTIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-18-15(10-22-11)16(20)19-6-7-21-14(9-19)8-12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25313075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).