2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C12H13N3O3S — CID 2675083

IUPAC2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(19-8)13-11(16)7-18-10-5-3-9(17-2)4-6-10/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyQLHWOEUOOMSCBF-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2675083) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2675083
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C12H13N3O3S/c1-8-14-15-12(19-8)13-11(16)7-18-10-5-3-9(17-2)4-6-10/h3-6H,7H2,1-2H3,(H,13,15,16)
InChIKeyQLHWOEUOOMSCBF-UHFFFAOYSA-N
XLogP1.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2675083) is 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(OCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QLHWOEUOOMSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-14-15-12(19-8)13-11(16)7-18-10-5-3-9(17-2)4-6-10/h3-6H,7H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).