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

C15H14N4O3S2 — CID 1276990

IUPAC2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)c1
InChIInChI=1S/C15H14N4O3S2/c1-10-3-2-4-11(7-10)21-8-13-18-19-15(22-13)24-9-12(20)17-14-16-5-6-23-14/h2-7H,8-9H2,1H3,(H,16,17,20)
InChIKeyHAXLWLCKNIAQOK-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.14
Rot. Bonds7

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

2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1276990) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1276990
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)c1
InChIInChI=1S/C15H14N4O3S2/c1-10-3-2-4-11(7-10)21-8-13-18-19-15(22-13)24-9-12(20)17-14-16-5-6-23-14/h2-7H,8-9H2,1H3,(H,16,17,20)
InChIKeyHAXLWLCKNIAQOK-UHFFFAOYSA-N
XLogP3.14
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1315581
2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3624109
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4542974
2-({5-[(2-isopropyl-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylacetamide
CID 1021211
2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3566321
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 4264883
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
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-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1315800
N-Ethyl-N-(4-methyl-thiazol-2-yl)-2-(5-m-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1448010

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 1276990) is 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(OCc2nnc(SCC(=O)Nc3nccs3)o2)c1.
What is the InChIKey of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HAXLWLCKNIAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-10-3-2-4-11(7-10)21-8-13-18-19-15(22-13)24-9-12(20)17-14-16-5-6-23-14/h2-7H,8-9H2,1H3,(H,16,17,20).
What are the key properties of 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 362.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1276990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).