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

C13H10ClN5O2S2 — CID 7197229

IUPACN-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3cccc(Cl)c3)nn2c1=O
InChIInChI=1S/C13H10ClN5O2S2/c1-7-11(21)19-12(17-16-7)23-13(18-19)22-6-10(20)15-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,20)
InChIKeyYZIHDPHEBUHNNO-UHFFFAOYSA-N
MW367.84 g/mol
LogP2.24
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (PubChem CID 7197229) has the molecular formula C13H10ClN5O2S2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-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-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
PubChem CID7197229
Molecular FormulaC13H10ClN5O2S2
Molecular Weight367.84 g/mol
Exact Mass367.00
IUPAC NameN-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
SMILESCc1nnc2sc(SCC(=O)Nc3cccc(Cl)c3)nn2c1=O
InChIInChI=1S/C13H10ClN5O2S2/c1-7-11(21)19-12(17-16-7)23-13(18-19)22-6-10(20)15-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,20)
InChIKeyYZIHDPHEBUHNNO-UHFFFAOYSA-N
XLogP2.24
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 7196632
N-(2,4-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135416554
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 4589322
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
N-(2-Chlorophenyl)-2-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961837
N-(3-chlorophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
CID 4440741
N-(3-acetamidophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 5310543
N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7197230
N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7202430
N-(2-Chlorophenyl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961814
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-N-(3-chloro-phenyl)-acetamide
CID 135416141

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-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-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide (CID 7197229) is N-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide is Cc1nnc2sc(SCC(=O)Nc3cccc(Cl)c3)nn2c1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
The InChIKey is YZIHDPHEBUHNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2S2/c1-7-11(21)19-12(17-16-7)23-13(18-19)22-6-10(20)15-9-4-2-3-8(14)5-9/h2-5H,6H2,1H3,(H,15,20).
What are the key properties of N-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-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 367.84 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-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 7197229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).