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

C16H17N5O3S2 — CID 656178

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1
InChIInChI=1S/C16H17N5O3S2/c1-3-14-19-20-15(26-14)17-12(22)9-25-16-21-18-13(24-16)8-23-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,17,20,22)
InChIKeyOBYPJFNAONWLPK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds8

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 656178) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID656178
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1
InChIInChI=1S/C16H17N5O3S2/c1-3-14-19-20-15(26-14)17-12(22)9-25-16-21-18-13(24-16)8-23-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,17,20,22)
InChIKeyOBYPJFNAONWLPK-UHFFFAOYSA-N
XLogP3.10
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648241
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 654637
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2203190
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 2669923
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 4800328
2-(2,6-dimethylphenoxy)-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2793113
N-[(2E)-5-cyclopentyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methylphenoxy)acetamide
CID 921788
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-ethylphenoxy)acetamide
CID 2669945
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 708618
2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 875803
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 4337926

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 656178) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OBYPJFNAONWLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-3-14-19-20-15(26-14)17-12(22)9-25-16-21-18-13(24-16)8-23-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,17,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 656178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).