3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one

C17H19ClN2O2S — CID 97485746

IUPAC3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
SMILESCc1nc([C@@H]2COCCN2C(=O)CCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2O2S/c1-12-19-15(11-23-12)16-10-22-9-8-20(16)17(21)7-4-13-2-5-14(18)6-3-13/h2-3,5-6,11,16H,4,7-10H2,1H3/t16-/m0/s1
InChIKeyQOYIMLCSGJKGHZ-INIZCTEOSA-N
MW350.87 g/mol
LogP3.64
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one

3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one (PubChem CID 97485746) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
PubChem CID97485746
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
SMILESCc1nc([C@@H]2COCCN2C(=O)CCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H19ClN2O2S/c1-12-19-15(11-23-12)16-10-22-9-8-20(16)17(21)7-4-13-2-5-14(18)6-3-13/h2-3,5-6,11,16H,4,7-10H2,1H3/t16-/m0/s1
InChIKeyQOYIMLCSGJKGHZ-INIZCTEOSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one (CID 97485746) is 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one is Cc1nc([C@@H]2COCCN2C(=O)CCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one?
The InChIKey is QOYIMLCSGJKGHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-12-19-15(11-23-12)16-10-22-9-8-20(16)17(21)7-4-13-2-5-14(18)6-3-13/h2-3,5-6,11,16H,4,7-10H2,1H3/t16-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one?
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one has a molecular weight of 350.87 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 97485746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).