3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one

C14H16N4O3S — CID 23326469

IUPAC3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one
SMILESCOCCn1c(=O)sc2ccc(C3=NNC(=O)NC3C)cc21
InChIInChI=1S/C14H16N4O3S/c1-8-12(16-17-13(19)15-8)9-3-4-11-10(7-9)18(5-6-21-2)14(20)22-11/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17,19)
InChIKeyKYIBEQVYXSDCKM-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.11
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one

3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one (PubChem CID 23326469) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one
PubChem CID23326469
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one
SMILESCOCCn1c(=O)sc2ccc(C3=NNC(=O)NC3C)cc21
InChIInChI=1S/C14H16N4O3S/c1-8-12(16-17-13(19)15-8)9-3-4-11-10(7-9)18(5-6-21-2)14(20)22-11/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17,19)
InChIKeyKYIBEQVYXSDCKM-UHFFFAOYSA-N
XLogP1.11
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,3-benzothiazol-2-one
CID 13470788
5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3-propan-2-yl-1,3-benzothiazol-2-one
CID 13470790
3-[4-(2-Hydroxyethyl)piperazin-1-yl-carbonylmethyl]-5-(5-methyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzothiazolin-2-one
CID 23326470
5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-3-propan-2-yl-1,3-benzothiazol-2-one
CID 23326472
5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-3H-1,3-benzothiazol-2-one
CID 23326475
3-Ethoxycarbonylmethyl-5-(5-methyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)benzothiazolin-2-one
CID 23326477
3-methyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one
CID 23326483
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-2-oxo-1,3-benzothiazol-3-yl]acetaldehyde
CID 57198306

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one (CID 23326469) is 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one is COCCn1c(=O)sc2ccc(C3=NNC(=O)NC3C)cc21.
What is the InChIKey of 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one?
The InChIKey is KYIBEQVYXSDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-12(16-17-13(19)15-8)9-3-4-11-10(7-9)18(5-6-21-2)14(20)22-11/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17,19).
What are the key properties of 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one?
3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one has a molecular weight of 320.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 23326469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).