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

C11H11N3OS2 — CID 739607

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,15)
InChIKeyMVWNQSFZOZVVGA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.90
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 739607) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID739607
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,15)
InChIKeyMVWNQSFZOZVVGA-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)benzamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 739607) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CCSc1nnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MVWNQSFZOZVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,15).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 739607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).