N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C15H19N3O4S — CID 2084461

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1nnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C15H19N3O4S/c1-5-13-17-18-15(23-13)16-12(19)8-9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,18,19)
InChIKeyFFPLLIBFRQGRNJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.31
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2084461) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2084461
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1nnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C15H19N3O4S/c1-5-13-17-18-15(23-13)16-12(19)8-9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,18,19)
InChIKeyFFPLLIBFRQGRNJ-UHFFFAOYSA-N
XLogP2.31
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2084461) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is CCc1nnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FFPLLIBFRQGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-13-17-18-15(23-13)16-12(19)8-9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).