2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide

C13H16N4O2S — CID 4261896

IUPAC2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
SMILESCOc1c(C)cccc1C(=O)Nn1c(C)nnc1SC
InChIInChI=1S/C13H16N4O2S/c1-8-6-5-7-10(11(8)19-3)12(18)16-17-9(2)14-15-13(17)20-4/h5-7H,1-4H3,(H,16,18)
InChIKeyNWKQXORFROVREQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.01
Rot. Bonds4

About 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide

2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide (PubChem CID 4261896) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
PubChem CID4261896
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
SMILESCOc1c(C)cccc1C(=O)Nn1c(C)nnc1SC
InChIInChI=1S/C13H16N4O2S/c1-8-6-5-7-10(11(8)19-3)12(18)16-17-9(2)14-15-13(17)20-4/h5-7H,1-4H3,(H,16,18)
InChIKeyNWKQXORFROVREQ-UHFFFAOYSA-N
XLogP2.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide (CID 4261896) is 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide is COc1c(C)cccc1C(=O)Nn1c(C)nnc1SC.
What is the InChIKey of 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The InChIKey is NWKQXORFROVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-6-5-7-10(11(8)19-3)12(18)16-17-9(2)14-15-13(17)20-4/h5-7H,1-4H3,(H,16,18).
What are the key properties of 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide has a molecular weight of 292.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 4261896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).