2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C16H16N4O3S2 — CID 4264883

IUPAC2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1
InChIInChI=1S/C16H16N4O3S2/c1-10-4-3-5-11(2)14(10)22-8-13-19-20-16(23-13)25-9-12(21)18-15-17-6-7-24-15/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyPVUGSLMFLYCBOU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds7

About 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4264883) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4264883
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1
InChIInChI=1S/C16H16N4O3S2/c1-10-4-3-5-11(2)14(10)22-8-13-19-20-16(23-13)25-9-12(21)18-15-17-6-7-24-15/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyPVUGSLMFLYCBOU-UHFFFAOYSA-N
XLogP3.45
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 4264883) is 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1.
What is the InChIKey of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PVUGSLMFLYCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-10-4-3-5-11(2)14(10)22-8-13-19-20-16(23-13)25-9-12(21)18-15-17-6-7-24-15/h3-7H,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4264883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).