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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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).