[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone

C11H15ClN2O2S — CID 114781295

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CC(CCl)O1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2)6-14(4-8(3-12)16-11)10(15)9-5-17-7-13-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDRSGFMSSKFJYMY-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.00
Rot. Bonds2

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 114781295) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID114781295
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CC(CCl)O1
InChIInChI=1S/C11H15ClN2O2S/c1-11(2)6-14(4-8(3-12)16-11)10(15)9-5-17-7-13-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDRSGFMSSKFJYMY-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 114781198
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 114781110
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 114781295) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2cscn2)CC(CCl)O1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DRSGFMSSKFJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(2)6-14(4-8(3-12)16-11)10(15)9-5-17-7-13-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 274.77 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114781295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).