2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide

C24H21N5O2S — CID 1275613

IUPAC2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H21N5O2S/c30-20(26-23(31)25-19-14-8-3-9-15-19)16-32-24-27-21(17-10-4-1-5-11-17)22(28-29-24)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,27,29)(H2,25,26,30,31)/t21-/m0/s1
InChIKeyWGWYQFLTTMKQMS-NRFANRHFSA-N
MW443.53 g/mol
LogP4.17
Rot. Bonds5

About 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide

2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide (PubChem CID 1275613) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
PubChem CID1275613
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)NC(=O)Nc1ccccc1
InChIInChI=1S/C24H21N5O2S/c30-20(26-23(31)25-19-14-8-3-9-15-19)16-32-24-27-21(17-10-4-1-5-11-17)22(28-29-24)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,27,29)(H2,25,26,30,31)/t21-/m0/s1
InChIKeyWGWYQFLTTMKQMS-NRFANRHFSA-N
XLogP4.17
TPSA94.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]acetate
CID 7361115
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
CID 12840972
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 8889835
N-(phenylcarbamoyl)-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 25021112
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 94806128
2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
CID 40571674
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 27328758
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 46618872
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide (CID 1275613) is 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide is O=C(CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is WGWYQFLTTMKQMS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21N5O2S/c30-20(26-23(31)25-19-14-8-3-9-15-19)16-32-24-27-21(17-10-4-1-5-11-17)22(28-29-24)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,27,29)(H2,25,26,30,31)/t21-/m0/s1.
What are the key properties of 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide?
2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 1275613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).