N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C21H25N5O2S — CID 55526538

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC(C)O1
InChIInChI=1S/C21H25N5O2S/c1-15-13-25(14-16(2)28-15)11-10-22-21(27)19-23-20(18-9-6-12-29-18)26(24-19)17-7-4-3-5-8-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyQWDIWDLDNQFABG-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 55526538) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID55526538
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC(C)O1
InChIInChI=1S/C21H25N5O2S/c1-15-13-25(14-16(2)28-15)11-10-22-21(27)19-23-20(18-9-6-12-29-18)26(24-19)17-7-4-3-5-8-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyQWDIWDLDNQFABG-UHFFFAOYSA-N
XLogP2.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 86825664
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 31985102
N-[2-[di(propan-2-yl)amino]ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18269386
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55507965
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744
N-[2-(diethylamino)ethyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55515617
N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 120554536
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55509705
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 55526538) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is CC1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is QWDIWDLDNQFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-15-13-25(14-16(2)28-15)11-10-22-21(27)19-23-20(18-9-6-12-29-18)26(24-19)17-7-4-3-5-8-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).