[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone

C13H12ClN3O2S — CID 47341691

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)11-8-17(5-6-19-11)13(18)12-7-15-16-20-12/h1-4,7,11H,5-6,8H2
InChIKeyLRLVHHOSYFXGTK-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.41
Rot. Bonds2

About [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (PubChem CID 47341691) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
PubChem CID47341691
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)11-8-17(5-6-19-11)13(18)12-7-15-16-20-12/h1-4,7,11H,5-6,8H2
InChIKeyLRLVHHOSYFXGTK-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 95215113
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone (CID 47341691) is [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is LRLVHHOSYFXGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)11-8-17(5-6-19-11)13(18)12-7-15-16-20-12/h1-4,7,11H,5-6,8H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 309.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 47341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).