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

C15H15N5O3S3 — CID 39929032

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCSc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1
InChIInChI=1S/C15H15N5O3S3/c1-2-24-15-20-18-13(26-15)16-11(21)9-25-14-19-17-12(23-14)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,18,21)
InChIKeyJGQRQSKFDVIUBJ-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.34
Rot. Bonds9

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 39929032) has the molecular formula C15H15N5O3S3 and a molecular weight of 409.52 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID39929032
Molecular FormulaC15H15N5O3S3
Molecular Weight409.52 g/mol
Exact Mass409.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCSc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1
InChIInChI=1S/C15H15N5O3S3/c1-2-24-15-20-18-13(26-15)16-11(21)9-25-14-19-17-12(23-14)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,18,21)
InChIKeyJGQRQSKFDVIUBJ-UHFFFAOYSA-N
XLogP3.34
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 39929032) is N-(5-ethylsulfanyl-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-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCSc1nnc(NC(=O)CSc2nnc(COc3ccccc3)o2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JGQRQSKFDVIUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S3/c1-2-24-15-20-18-13(26-15)16-11(21)9-25-14-19-17-12(23-14)8-22-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,18,21).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 39929032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).