(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C11H17N3O2S — CID 62792174

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H17N3O2S/c1-6-4-14(5-7(2)16-6)10(15)9-8(3)13-11(12)17-9/h6-7H,4-5H2,1-3H3,(H2,12,13)
InChIKeyKIYYUBVWLLGRIA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.28
Rot. Bonds1

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 62792174) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID62792174
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H17N3O2S/c1-6-4-14(5-7(2)16-6)10(15)9-8(3)13-11(12)17-9/h6-7H,4-5H2,1-3H3,(H2,12,13)
InChIKeyKIYYUBVWLLGRIA-UHFFFAOYSA-N
XLogP1.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495
(3S,4S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 72860789
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961942
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 49371148
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961435
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70776043

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 62792174) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is Cc1nc(N)sc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is KIYYUBVWLLGRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-4-14(5-7(2)16-6)10(15)9-8(3)13-11(12)17-9/h6-7H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62792174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).