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

C15H15N5O2S2 — CID 7202423

IUPACN-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-3-10-4-6-11(7-5-10)16-12(21)8-23-15-19-20-13(22)9(2)17-18-14(20)24-15/h4-7H,3,8H2,1-2H3,(H,16,21)
InChIKeyCDFPKMHFKHIFRZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.15
Rot. Bonds5

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

N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (PubChem CID 7202423) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
PubChem CID7202423
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC NameN-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-3-10-4-6-11(7-5-10)16-12(21)8-23-15-19-20-13(22)9(2)17-18-14(20)24-15/h4-7H,3,8H2,1-2H3,(H,16,21)
InChIKeyCDFPKMHFKHIFRZ-UHFFFAOYSA-N
XLogP2.15
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-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-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (CID 7202423) is N-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The InChIKey is CDFPKMHFKHIFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-3-10-4-6-11(7-5-10)16-12(21)8-23-15-19-20-13(22)9(2)17-18-14(20)24-15/h4-7H,3,8H2,1-2H3,(H,16,21).
What are the key properties of N-(4-ethylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
N-(4-ethylphenyl)-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 361.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-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 7202423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).