N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide

C13H12N4O2S — CID 2936650

IUPACN-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
InChIInChI=1S/C13H12N4O2S/c1-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-7-14-16-13(17)20-10/h2-5,7,10H,6H2,1H3,(H,15,19)
InChIKeyRTHKJOIJUMQBSO-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.73
Rot. Bonds2

About N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide

N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide (PubChem CID 2936650) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
PubChem CID2936650
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
InChIInChI=1S/C13H12N4O2S/c1-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-7-14-16-13(17)20-10/h2-5,7,10H,6H2,1H3,(H,15,19)
InChIKeyRTHKJOIJUMQBSO-UHFFFAOYSA-N
XLogP1.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide with MolForge

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Related Compounds

1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
CID 3125499
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 738845
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3658453
N-(2,5-dimethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2872072
N-(3-methylphenyl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 851338
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2307909
N-(2,5-dimethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 2999891
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2909796
3-amino-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]benzamide
CID 139360840
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 857566
2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2513712
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 25332097

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide (CID 2936650) is N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide is Cc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The InChIKey is RTHKJOIJUMQBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-3-2-4-9(5-8)15-12(19)10-6-11(18)17-7-14-16-13(17)20-10/h2-5,7,10H,6H2,1H3,(H,15,19).
What are the key properties of N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide is sourced from PubChem (CID 2936650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).