3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

C17H15N3O3S2 — CID 4007250

IUPAC3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2n(c1=O)C(CS(=O)(=O)c1ccc3ccccc3c1)CS2
InChIInChI=1S/C17H15N3O3S2/c1-11-16(21)20-14(9-24-17(20)19-18-11)10-25(22,23)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14H,9-10H2,1H3
InChIKeyPHQNLYPZNQKTCR-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 4007250) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID4007250
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2n(c1=O)C(CS(=O)(=O)c1ccc3ccccc3c1)CS2
InChIInChI=1S/C17H15N3O3S2/c1-11-16(21)20-14(9-24-17(20)19-18-11)10-25(22,23)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14H,9-10H2,1H3
InChIKeyPHQNLYPZNQKTCR-UHFFFAOYSA-N
XLogP2.22
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one (CID 4007250) is 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is Cc1nnc2n(c1=O)C(CS(=O)(=O)c1ccc3ccccc3c1)CS2.
What is the InChIKey of 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is PHQNLYPZNQKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-11-16(21)20-14(9-24-17(20)19-18-11)10-25(22,23)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14H,9-10H2,1H3.
What are the key properties of 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one?
3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 373.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(naphthalen-2-ylsulfonylmethyl)-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 4007250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).