2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H20N6O2S — CID 97059660

IUPAC2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc([C@@H]2CN(CC(=O)Nc3nc(C)cs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-3-11-16-13(19-18-11)10-6-20(4-5-22-10)7-12(21)17-14-15-9(2)8-23-14/h8,10H,3-7H2,1-2H3,(H,15,17,21)(H,16,18,19)/t10-/m0/s1
InChIKeyQLKWPVOPUCWTPG-JTQLQIEISA-N
MW336.42 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 97059660) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID97059660
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc([C@@H]2CN(CC(=O)Nc3nc(C)cs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-3-11-16-13(19-18-11)10-6-20(4-5-22-10)7-12(21)17-14-15-9(2)8-23-14/h8,10H,3-7H2,1-2H3,(H,15,17,21)(H,16,18,19)/t10-/m0/s1
InChIKeyQLKWPVOPUCWTPG-JTQLQIEISA-N
XLogP1.14
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 97059660) is 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc([C@@H]2CN(CC(=O)Nc3nc(C)cs3)CCO2)n[nH]1.
What is the InChIKey of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QLKWPVOPUCWTPG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-3-11-16-13(19-18-11)10-6-20(4-5-22-10)7-12(21)17-14-15-9(2)8-23-14/h8,10H,3-7H2,1-2H3,(H,15,17,21)(H,16,18,19)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97059660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).