N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide

C15H19N3O4S — CID 3152388

IUPACN-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1OC
InChIInChI=1S/C15H19N3O4S/c1-9(19)16-14-17-18(10(2)20)15(3,23-14)11-6-7-12(21-4)13(8-11)22-5/h6-8H,1-5H3,(H,16,17,19)
InChIKeyFTIVBJDJHDHTCA-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.88
Rot. Bonds3

About N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide

N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3152388) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3152388
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1OC
InChIInChI=1S/C15H19N3O4S/c1-9(19)16-14-17-18(10(2)20)15(3,23-14)11-6-7-12(21-4)13(8-11)22-5/h6-8H,1-5H3,(H,16,17,19)
InChIKeyFTIVBJDJHDHTCA-UHFFFAOYSA-N
XLogP1.88
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (CID 3152388) is N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(C2(C)SC(NC(C)=O)=NN2C(C)=O)cc1OC.
What is the InChIKey of N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FTIVBJDJHDHTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9(19)16-14-17-18(10(2)20)15(3,23-14)11-6-7-12(21-4)13(8-11)22-5/h6-8H,1-5H3,(H,16,17,19).
What are the key properties of N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3152388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).