1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C14H14FN3O2S2 — CID 60507668

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2S2/c15-11-3-1-10(2-4-11)12-7-18(5-6-20-12)13(19)8-21-14-17-16-9-22-14/h1-4,9,12H,5-8H2
InChIKeyZXLJGQHQQKPPFC-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 60507668) has the molecular formula C14H14FN3O2S2 and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID60507668
Molecular FormulaC14H14FN3O2S2
Molecular Weight339.42 g/mol
Exact Mass339.05
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2S2/c15-11-3-1-10(2-4-11)12-7-18(5-6-20-12)13(19)8-21-14-17-16-9-22-14/h1-4,9,12H,5-8H2
InChIKeyZXLJGQHQQKPPFC-UHFFFAOYSA-N
XLogP2.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-ethoxyphenyl)sulfanyl-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 55564198
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46579199
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 60507668) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is ZXLJGQHQQKPPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S2/c15-11-3-1-10(2-4-11)12-7-18(5-6-20-12)13(19)8-21-14-17-16-9-22-14/h1-4,9,12H,5-8H2.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 339.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 60507668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).