2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H20N5O2S+ — CID 6965323

IUPAC2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C15H19N5O2S/c16-13(21)11-23-15-18-17-14(10-19-6-8-22-9-7-19)20(15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,21)/p+1
InChIKeyYLYSGVOWJMCMGV-UHFFFAOYSA-O
MW334.43 g/mol
LogP-0.74
Rot. Bonds6

About 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6965323) has the molecular formula C15H20N5O2S+ and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6965323
Molecular FormulaC15H20N5O2S+
Molecular Weight334.43 g/mol
Exact Mass334.13
IUPAC Name2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C15H19N5O2S/c16-13(21)11-23-15-18-17-14(10-19-6-8-22-9-7-19)20(15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,21)/p+1
InChIKeyYLYSGVOWJMCMGV-UHFFFAOYSA-O
XLogP-0.74
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 132789405
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 856918
2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 6965208
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1080941
2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6459373
2-[[5-(2-methylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 39398041
2-[[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 91484468
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 17137312
2-[[5-[[2-chloro-5-(trifluoromethyl)anilino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1164342
2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2983941
2-[[5-(2-methylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391720
propyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17137329

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6965323) is 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1.
What is the InChIKey of 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is YLYSGVOWJMCMGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N5O2S/c16-13(21)11-23-15-18-17-14(10-19-6-8-22-9-7-19)20(15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,21)/p+1.
What are the key properties of 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 334.43 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6965323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).