[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate

C14H15N3O4S — CID 7576867

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1snnc1C
InChIInChI=1S/C14H15N3O4S/c1-8-4-5-11(20-3)10(6-8)15-12(18)7-21-14(19)13-9(2)16-17-22-13/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyFTRGISYKTBTYKV-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.96
Rot. Bonds5

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate (PubChem CID 7576867) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
PubChem CID7576867
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1snnc1C
InChIInChI=1S/C14H15N3O4S/c1-8-4-5-11(20-3)10(6-8)15-12(18)7-21-14(19)13-9(2)16-17-22-13/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyFTRGISYKTBTYKV-UHFFFAOYSA-N
XLogP1.96
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate (CID 7576867) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate is COc1ccc(C)cc1NC(=O)COC(=O)c1snnc1C.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
The InChIKey is FTRGISYKTBTYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8-4-5-11(20-3)10(6-8)15-12(18)7-21-14(19)13-9(2)16-17-22-13/h4-6H,7H2,1-3H3,(H,15,18).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate has a molecular weight of 321.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 7576867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).