N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide

C14H13N5O3S2 — CID 7197234

IUPACN-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1
InChIInChI=1S/C14H13N5O3S2/c1-8-12(21)19-13(17-16-8)24-14(18-19)23-7-11(20)15-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,15,20)
InChIKeyKOBRRVCAZDFVSO-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.59
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide

N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (PubChem CID 7197234) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
PubChem CID7197234
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC NameN-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1
InChIInChI=1S/C14H13N5O3S2/c1-8-12(21)19-13(17-16-8)24-14(18-19)23-7-11(20)15-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,15,20)
InChIKeyKOBRRVCAZDFVSO-UHFFFAOYSA-N
XLogP1.59
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]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-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2049754
S-[2-(3-methoxyanilino)-2-oxoethyl] thiocarbamate
CID 671768
N-(3-Methoxyphenyl)-2-[({5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 8263975
2-(3-Methoxyanilino)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 145992144
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763323
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 853532
N-(2-methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamide
CID 7197232
N-(4-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7197236
N-[4-(difluoromethoxy)phenyl]-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135507166
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 853536
N-(benzo[d][1,3]dioxol-5-yl)-2-((6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135461545
2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4190893

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (CID 7197234) is N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The InChIKey is KOBRRVCAZDFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c1-8-12(21)19-13(17-16-8)24-14(18-19)23-7-11(20)15-9-4-3-5-10(6-9)22-2/h3-6H,7H2,1-2H3,(H,15,20).
What are the key properties of N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 7197234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).