N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C18H17N3OS3 — CID 2931467

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCSc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H17N3OS3/c1-2-23-18-21-20-17(25-18)19-16(22)15(13-9-5-3-6-10-13)24-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,20,22)
InChIKeyJRWRVANBHWMNBS-UHFFFAOYSA-N
MW387.56 g/mol
LogP5.12
Rot. Bonds7

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2931467) has the molecular formula C18H17N3OS3 and a molecular weight of 387.56 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2931467
Molecular FormulaC18H17N3OS3
Molecular Weight387.56 g/mol
Exact Mass387.05
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCSc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H17N3OS3/c1-2-23-18-21-20-17(25-18)19-16(22)15(13-9-5-3-6-10-13)24-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,20,22)
InChIKeyJRWRVANBHWMNBS-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 2931467) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide is CCSc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is JRWRVANBHWMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS3/c1-2-23-18-21-20-17(25-18)19-16(22)15(13-9-5-3-6-10-13)24-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,20,22).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 387.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2931467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).