3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide

C27H23N7O3S3 — CID 25043417

IUPAC3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2)s1
InChIInChI=1S/C27H23N7O3S3/c1-18-30-33-27(39-18)34-40(36,37)22-14-12-21(13-15-22)28-23(35)16-17-38-26-29-24(19-8-4-2-5-9-19)25(31-32-26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,28,35)(H,33,34)
InChIKeyMCLMPPLTJDNMMT-UHFFFAOYSA-N
MW589.73 g/mol
LogP5.29
Rot. Bonds10

About 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide

3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25043417) has the molecular formula C27H23N7O3S3 and a molecular weight of 589.73 g/mol. Its IUPAC name is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID25043417
Molecular FormulaC27H23N7O3S3
Molecular Weight589.73 g/mol
Exact Mass589.10
IUPAC Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2)s1
InChIInChI=1S/C27H23N7O3S3/c1-18-30-33-27(39-18)34-40(36,37)22-14-12-21(13-15-22)28-23(35)16-17-38-26-29-24(19-8-4-2-5-9-19)25(31-32-26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,28,35)(H,33,34)
InChIKeyMCLMPPLTJDNMMT-UHFFFAOYSA-N
XLogP5.29
TPSA139.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.73
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide 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

3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25044463
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 23832988
N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide
CID 25035336
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25038020
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23832958
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25048882
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25039877
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 23745984
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25048892
N-[4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186706
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide (CID 25043417) is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide is Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2)s1.
What is the InChIKey of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is MCLMPPLTJDNMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3S3/c1-18-30-33-27(39-18)34-40(36,37)22-14-12-21(13-15-22)28-23(35)16-17-38-26-29-24(19-8-4-2-5-9-19)25(31-32-26)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,28,35)(H,33,34).
What are the key properties of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide?
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 589.73 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25043417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).