N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide

C15H13ClN4O2S — CID 141442386

IUPACN-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
SMILESCc1nn2c(CC(=O)NCc3ccccc3Cl)csc2nc1=O
InChIInChI=1S/C15H13ClN4O2S/c1-9-14(22)18-15-20(19-9)11(8-23-15)6-13(21)17-7-10-4-2-3-5-12(10)16/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeyDDARZMGXUHYISW-UHFFFAOYSA-N
MW348.82 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide (PubChem CID 141442386) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
PubChem CID141442386
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
SMILESCc1nn2c(CC(=O)NCc3ccccc3Cl)csc2nc1=O
InChIInChI=1S/C15H13ClN4O2S/c1-9-14(22)18-15-20(19-9)11(8-23-15)6-13(21)17-7-10-4-2-3-5-12(10)16/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKeyDDARZMGXUHYISW-UHFFFAOYSA-N
XLogP1.97
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide (CID 141442386) is N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide is Cc1nn2c(CC(=O)NCc3ccccc3Cl)csc2nc1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The InChIKey is DDARZMGXUHYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-9-14(22)18-15-20(19-9)11(8-23-15)6-13(21)17-7-10-4-2-3-5-12(10)16/h2-5,8H,6-7H2,1H3,(H,17,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide has a molecular weight of 348.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide is sourced from PubChem (CID 141442386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).