4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one

C14H13FN2O3S — CID 136532193

IUPAC4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C14H13FN2O3S/c15-10-4-2-1-3-9(10)12-7-17(5-6-20-12)13(18)11-8-21-14(19)16-11/h1-4,8,12H,5-7H2,(H,16,19)
InChIKeyZQOOJLZGGSCDNI-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.79
Rot. Bonds2

About 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one

4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one (PubChem CID 136532193) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
PubChem CID136532193
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C14H13FN2O3S/c15-10-4-2-1-3-9(10)12-7-17(5-6-20-12)13(18)11-8-21-14(19)16-11/h1-4,8,12H,5-7H2,(H,16,19)
InChIKeyZQOOJLZGGSCDNI-UHFFFAOYSA-N
XLogP1.79
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
7-[2-(2-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429579
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one (CID 136532193) is 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one is O=C(c1csc(=O)[nH]1)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZQOOJLZGGSCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-10-4-2-1-3-9(10)12-7-17(5-6-20-12)13(18)11-8-21-14(19)16-11/h1-4,8,12H,5-7H2,(H,16,19).
What are the key properties of 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one?
4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one has a molecular weight of 308.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136532193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).