N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide

C15H12Cl2N4O2S — CID 154805279

IUPACN-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide
SMILESCc1sc2nnn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2c1C
InChIInChI=1S/C15H12Cl2N4O2S/c1-7-8(2)24-14-13(7)15(23)21(20-19-14)6-12(22)18-11-4-3-9(16)5-10(11)17/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyHKIYUUCSDZJJEE-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.42
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide

N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide (PubChem CID 154805279) has the molecular formula C15H12Cl2N4O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide
PubChem CID154805279
Molecular FormulaC15H12Cl2N4O2S
Molecular Weight383.26 g/mol
Exact Mass382.01
IUPAC NameN-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide
SMILESCc1sc2nnn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2c1C
InChIInChI=1S/C15H12Cl2N4O2S/c1-7-8(2)24-14-13(7)15(23)21(20-19-14)6-12(22)18-11-4-3-9(16)5-10(11)17/h3-5H,6H2,1-2H3,(H,18,22)
InChIKeyHKIYUUCSDZJJEE-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide (CID 154805279) is N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide is Cc1sc2nnn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2c1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide?
The InChIKey is HKIYUUCSDZJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S/c1-7-8(2)24-14-13(7)15(23)21(20-19-14)6-12(22)18-11-4-3-9(16)5-10(11)17/h3-5H,6H2,1-2H3,(H,18,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide has a molecular weight of 383.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 154805279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).