2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide

C12H21N5O2S — CID 128969383

IUPAC2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCCc1nsc(N2CCOC(CN(C)CC(N)=O)C2)n1
InChIInChI=1S/C12H21N5O2S/c1-3-11-14-12(20-15-11)17-4-5-19-9(7-17)6-16(2)8-10(13)18/h9H,3-8H2,1-2H3,(H2,13,18)
InChIKeyCJHVTKOSHYXWGW-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.28
Rot. Bonds6

About 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide

2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 128969383) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID128969383
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCCc1nsc(N2CCOC(CN(C)CC(N)=O)C2)n1
InChIInChI=1S/C12H21N5O2S/c1-3-11-14-12(20-15-11)17-4-5-19-9(7-17)6-16(2)8-10(13)18/h9H,3-8H2,1-2H3,(H2,13,18)
InChIKeyCJHVTKOSHYXWGW-UHFFFAOYSA-N
XLogP-0.28
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
CID 124875294
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
CID 164640503
2-[methyl-[[(2R)-4-(1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141381
2-[[4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969399
2-[(4-ethylsulfonylmorpholin-2-yl)methyl-methylamino]acetamide
CID 154739726
2-[methyl-[[(2R)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141326
2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141490
2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875467
2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
CID 120904709
2-[methyl-[[(2R)-4-(1,6-naphthyridin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 124875126
2-[[(2R)-4-(3,8-dimethylquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141474
6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
CID 126810031

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide (CID 128969383) is 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide is CCc1nsc(N2CCOC(CN(C)CC(N)=O)C2)n1.
What is the InChIKey of 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is CJHVTKOSHYXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-11-14-12(20-15-11)17-4-5-19-9(7-17)6-16(2)8-10(13)18/h9H,3-8H2,1-2H3,(H2,13,18).
What are the key properties of 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide?
2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 299.40 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 128969383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).