[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C17H19ClN2O2S — CID 27661495

IUPAC[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H19ClN2O2S/c1-10-8-20(9-11(2)22-10)17(21)15-12(3)19-16(23-15)13-4-6-14(18)7-5-13/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyQLZTVSWDRXUORQ-GHMZBOCLSA-N
MW350.87 g/mol
LogP4.02
Rot. Bonds2

About [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27661495) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27661495
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H19ClN2O2S/c1-10-8-20(9-11(2)22-10)17(21)15-12(3)19-16(23-15)13-4-6-14(18)7-5-13/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyQLZTVSWDRXUORQ-GHMZBOCLSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 49371148
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541192
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55902672
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491382
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 55617537
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507288
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119595537
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119624283
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512396

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 27661495) is [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is QLZTVSWDRXUORQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-10-8-20(9-11(2)22-10)17(21)15-12(3)19-16(23-15)13-4-6-14(18)7-5-13/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 350.87 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27661495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).