6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione

C13H9Cl2N5O2S — CID 1471966

IUPAC6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(-c2csc(N)n2)nn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C13H9Cl2N5O2S/c1-19-11(21)10(9-5-23-12(16)17-9)18-20(13(19)22)8-3-6(14)2-7(15)4-8/h2-5H,1H3,(H2,16,17)
InChIKeyBBGLKKWUHYRNPX-UHFFFAOYSA-N
MW370.22 g/mol
LogP1.94
Rot. Bonds2

About 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione

6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 1471966) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID1471966
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(-c2csc(N)n2)nn(-c2cc(Cl)cc(Cl)c2)c1=O
InChIInChI=1S/C13H9Cl2N5O2S/c1-19-11(21)10(9-5-23-12(16)17-9)18-20(13(19)22)8-3-6(14)2-7(15)4-8/h2-5H,1H3,(H2,16,17)
InChIKeyBBGLKKWUHYRNPX-UHFFFAOYSA-N
XLogP1.94
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione (CID 1471966) is 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione is Cn1c(=O)c(-c2csc(N)n2)nn(-c2cc(Cl)cc(Cl)c2)c1=O.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is BBGLKKWUHYRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c1-19-11(21)10(9-5-23-12(16)17-9)18-20(13(19)22)8-3-6(14)2-7(15)4-8/h2-5H,1H3,(H2,16,17).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 370.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 1471966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).