[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C12H20N4O2S — CID 104961942

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2sc(N(C)C)nc2N)C[C@H](C)O1
InChIInChI=1S/C12H20N4O2S/c1-7-5-16(6-8(2)18-7)11(17)9-10(13)14-12(19-9)15(3)4/h7-8H,5-6,13H2,1-4H3/t7-,8+
InChIKeyIXEIOVBJKVEUBQ-OCAPTIKFSA-N
MW284.39 g/mol
LogP1.04
Rot. Bonds2

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104961942) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104961942
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2sc(N(C)C)nc2N)C[C@H](C)O1
InChIInChI=1S/C12H20N4O2S/c1-7-5-16(6-8(2)18-7)11(17)9-10(13)14-12(19-9)15(3)4/h7-8H,5-6,13H2,1-4H3/t7-,8+
InChIKeyIXEIOVBJKVEUBQ-OCAPTIKFSA-N
XLogP1.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 116670981
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butylpiperidin-1-yl)methanone
CID 116665166
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 116667002
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]methanone
CID 116671231
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methylmorpholin-4-yl)methanone
CID 116670087
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103359055
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 116666571
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 104961942) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2sc(N(C)C)nc2N)C[C@H](C)O1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is IXEIOVBJKVEUBQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7-5-16(6-8(2)18-7)11(17)9-10(13)14-12(19-9)15(3)4/h7-8H,5-6,13H2,1-4H3/t7-,8+.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 284.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104961942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).