2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C16H19N3O3S — CID 2793113

IUPAC2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H19N3O3S/c1-10-5-3-6-11(2)14(10)22-9-13(20)17-16-19-18-15(23-16)12-7-4-8-21-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,17,19,20)
InChIKeyKHWXSCDXNBBIQW-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2793113) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2793113
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H19N3O3S/c1-10-5-3-6-11(2)14(10)22-9-13(20)17-16-19-18-15(23-16)12-7-4-8-21-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,17,19,20)
InChIKeyKHWXSCDXNBBIQW-UHFFFAOYSA-N
XLogP3.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2793113) is 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KHWXSCDXNBBIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-5-3-6-11(2)14(10)22-9-13(20)17-16-19-18-15(23-16)12-7-4-8-21-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2793113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).