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

C16H16N4O3S2 — CID 3624109

IUPAC2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1
InChIInChI=1S/C16H16N4O3S2/c1-10-3-5-12(6-4-10)22-8-14-19-20-16(23-14)24-9-13(21)18-15-17-7-11(2)25-15/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyZJXMYXGRNDEWAS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds7

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

2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3624109) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3624109
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1
InChIInChI=1S/C16H16N4O3S2/c1-10-3-5-12(6-4-10)22-8-14-19-20-16(23-14)24-9-13(21)18-15-17-7-11(2)25-15/h3-7H,8-9H2,1-2H3,(H,17,18,21)
InChIKeyZJXMYXGRNDEWAS-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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Related Compounds

2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 664166
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1276990
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1315581
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4542974
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 4264883
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1307924
2-((5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1285138
2-((5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2155840
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1281026
2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 145957149
2-(4-ethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 804182

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 3624109) is 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(OCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZJXMYXGRNDEWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-10-3-5-12(6-4-10)22-8-14-19-20-16(23-14)24-9-13(21)18-15-17-7-11(2)25-15/h3-7H,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-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-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3624109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).