2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide

C12H17F3N4O2S — CID 124875294

IUPAC2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
SMILESCN(CC(N)=O)C[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C12H17F3N4O2S/c1-18(7-10(16)20)5-8-6-19(2-3-21-8)11-17-4-9(22-11)12(13,14)15/h4,8H,2-3,5-7H2,1H3,(H2,16,20)/t8-/m1/s1
InChIKeyQDJLSOUXGHPGKS-MRVPVSSYSA-N
MW338.36 g/mol
LogP0.78
Rot. Bonds5

About 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide

2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide (PubChem CID 124875294) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
PubChem CID124875294
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC Name2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
SMILESCN(CC(N)=O)C[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C12H17F3N4O2S/c1-18(7-10(16)20)5-8-6-19(2-3-21-8)11-17-4-9(22-11)12(13,14)15/h4,8H,2-3,5-7H2,1H3,(H2,16,20)/t8-/m1/s1
InChIKeyQDJLSOUXGHPGKS-MRVPVSSYSA-N
XLogP0.78
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969383
2-[methyl-[[(2R)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141326
2-[[4-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122051970
2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
CID 120904709
2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141490
2-[[4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969399
6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
CID 126810031
2-[[(2R)-4-(3,8-dimethylquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141474
2-[methyl-[[(2R)-4-(1,6-naphthyridin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 124875126
2-[methyl-[[(2R)-4-(1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141381
2-[methyl-[[(2R)-4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340998
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide (CID 124875294) is 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide is CN(CC(N)=O)C[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCO1.
What is the InChIKey of 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide?
The InChIKey is QDJLSOUXGHPGKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-18(7-10(16)20)5-8-6-19(2-3-21-8)11-17-4-9(22-11)12(13,14)15/h4,8H,2-3,5-7H2,1H3,(H2,16,20)/t8-/m1/s1.
What are the key properties of 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide?
2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide has a molecular weight of 338.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 124875294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).