2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C15H21N5O2S — CID 129336394

IUPAC2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1cnnc1[C@@H]1CN(CC(=O)NCc2cccs2)CCO1
InChIInChI=1S/C15H21N5O2S/c1-2-20-11-17-18-15(20)13-9-19(5-6-22-13)10-14(21)16-8-12-4-3-7-23-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyKCIXQBYRJFBLEF-ZDUSSCGKSA-N
MW335.43 g/mol
LogP1.05
Rot. Bonds6

About 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129336394) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID129336394
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1cnnc1[C@@H]1CN(CC(=O)NCc2cccs2)CCO1
InChIInChI=1S/C15H21N5O2S/c1-2-20-11-17-18-15(20)13-9-19(5-6-22-13)10-14(21)16-8-12-4-3-7-23-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyKCIXQBYRJFBLEF-ZDUSSCGKSA-N
XLogP1.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 129328127
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 129339664
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
(1R)-2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(4-methylphenyl)ethanol
CID 129333633
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 129336394) is 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is CCn1cnnc1[C@@H]1CN(CC(=O)NCc2cccs2)CCO1.
What is the InChIKey of 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KCIXQBYRJFBLEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-2-20-11-17-18-15(20)13-9-19(5-6-22-13)10-14(21)16-8-12-4-3-7-23-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3,(H,16,21)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129336394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).