[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C15H15ClN2O2S — CID 99823473

IUPAC[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cscn1
InChIInChI=1S/C15H15ClN2O2S/c1-10-7-20-14(11-3-2-4-12(16)5-11)6-18(10)15(19)13-8-21-9-17-13/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyXEWVLTWYLCOLFC-QMTHXVAHSA-N
MW322.82 g/mol
LogP3.40
Rot. Bonds2

About [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 99823473) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID99823473
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cscn1
InChIInChI=1S/C15H15ClN2O2S/c1-10-7-20-14(11-3-2-4-12(16)5-11)6-18(10)15(19)13-8-21-9-17-13/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyXEWVLTWYLCOLFC-QMTHXVAHSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
5-[2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyrrole-3-carbonitrile
CID 119034470
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 124729288
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 99823473) is [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cscn1.
What is the InChIKey of [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XEWVLTWYLCOLFC-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-7-20-14(11-3-2-4-12(16)5-11)6-18(10)15(19)13-8-21-9-17-13/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1.
What are the key properties of [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 322.82 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 99823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).