4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide

C18H17N5O3S — CID 49418267

IUPAC4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1
InChIInChI=1S/C18H17N5O3S/c19-15(24)13-11-22(8-9-26-13)18(25)16-20-17(14-7-4-10-27-14)23(21-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H2,19,24)
InChIKeyJXZJJGPJZQXEKU-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.32
Rot. Bonds4

About 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide

4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide (PubChem CID 49418267) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide
PubChem CID49418267
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1
InChIInChI=1S/C18H17N5O3S/c19-15(24)13-11-22(8-9-26-13)18(25)16-20-17(14-7-4-10-27-14)23(21-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H2,19,24)
InChIKeyJXZJJGPJZQXEKU-UHFFFAOYSA-N
XLogP1.32
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]morpholin-2-yl]methanone
CID 166181970
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
[(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
2-[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]propanamide
CID 86953681
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166222292
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 42055114
methyl 4-phenyl-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-4-carboxylate
CID 55514001
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
4-[[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 30701244
[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
CID 166207797

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide?
The IUPAC name of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide (CID 49418267) is 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1.
What is the InChIKey of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide?
The InChIKey is JXZJJGPJZQXEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c19-15(24)13-11-22(8-9-26-13)18(25)16-20-17(14-7-4-10-27-14)23(21-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H2,19,24).
What are the key properties of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide?
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 49418267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).