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

C12H19N3O2S — CID 34676483

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H19N3O2S/c1-7-5-15(6-8(2)17-7)12(16)10-9(3)14-18-11(10)13-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyMMHPQHWSWGIBJF-YUMQZZPRSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds2

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

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 34676483) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID34676483
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H19N3O2S/c1-7-5-15(6-8(2)17-7)12(16)10-9(3)14-18-11(10)13-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyMMHPQHWSWGIBJF-YUMQZZPRSA-N
XLogP1.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone with MolForge

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Related Compounds

[4-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51075742
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55955315
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564
(2-tert-butylmorpholin-4-yl)-[5-(cyclopropylamino)-3-methyl-1,2-thiazol-4-yl]methanone
CID 122157942
methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 97002102
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 97209125
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-methyl-5-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]-1,2-thiazole-4-carboxamide
CID 95124249
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 34676483) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CNc1snc(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is MMHPQHWSWGIBJF-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-5-15(6-8(2)17-7)12(16)10-9(3)14-18-11(10)13-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 34676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).