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

C11H11N3OS2 — CID 970312

IUPAC2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3OS2/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyNWLIAQQWXIUFIE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.90
Rot. Bonds4

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

2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 970312) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID970312
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3OS2/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyNWLIAQQWXIUFIE-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 970312) is 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide is CCSc1ccccc1C(=O)Nc1nncs1.
What is the InChIKey of 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NWLIAQQWXIUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-ethylsulfanyl-N-(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 2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 970312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).