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

C15H15N5O3S2 — CID 3142513

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1
InChIInChI=1S/C15H15N5O3S2/c1-2-13-18-19-14(25-13)16-11(21)9-24-15-20-17-12(23-15)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,19,21)
InChIKeyXNNZBYZNTDHSGY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.79
Rot. Bonds8

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3142513) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3142513
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1
InChIInChI=1S/C15H15N5O3S2/c1-2-13-18-19-14(25-13)16-11(21)9-24-15-20-17-12(23-15)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,19,21)
InChIKeyXNNZBYZNTDHSGY-UHFFFAOYSA-N
XLogP2.79
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4259947
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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CID 1157896
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CID 21215048
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CID 126345116
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CID 3530873
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CID 4041118
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3345468
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3920663
N-(3-bromo-4-chlorophenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
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N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3142513) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-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-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XNNZBYZNTDHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-2-13-18-19-14(25-13)16-11(21)9-24-15-20-17-12(23-15)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.79, 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-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3142513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).