(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone

C12H18N2O2S — CID 102737670

IUPAC(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CC(C)(C)O1
InChIInChI=1S/C12H18N2O2S/c1-11(2)6-14(7-12(3,4)16-11)10(15)9-5-17-8-13-9/h5,8H,6-7H2,1-4H3
InChIKeyIPXGOQIWWNFBQQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.17
Rot. Bonds1

About (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone

(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 102737670) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID102737670
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CC(C)(C)O1
InChIInChI=1S/C12H18N2O2S/c1-11(2)6-14(7-12(3,4)16-11)10(15)9-5-17-8-13-9/h5,8H,6-7H2,1-4H3
InChIKeyIPXGOQIWWNFBQQ-UHFFFAOYSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 114781295
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
(7-ethylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 97392729
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 146069133
[5-(methylamino)-2-pyridinyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745621

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone (CID 102737670) is (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2cscn2)CC(C)(C)O1.
What is the InChIKey of (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is IPXGOQIWWNFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11(2)6-14(7-12(3,4)16-11)10(15)9-5-17-8-13-9/h5,8H,6-7H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone?
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 254.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 102737670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).