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

C11H10FN3OS2 — CID 896256

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESCCSc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS2/c1-2-17-11-15-14-10(18-11)13-9(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,16)
InChIKeyRHYQQTUWDFPHHM-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.04
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (PubChem CID 896256) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
PubChem CID896256
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
SMILESCCSc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3OS2/c1-2-17-11-15-14-10(18-11)13-9(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,16)
InChIKeyRHYQQTUWDFPHHM-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.04
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)-4-fluorobenzamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide (CID 896256) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide is CCSc1nnc(NC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
The InChIKey is RHYQQTUWDFPHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c1-2-17-11-15-14-10(18-11)13-9(16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,16).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide has a molecular weight of 283.35 g/mol, XLogP of 3.04, 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)-4-fluorobenzamide is sourced from PubChem (CID 896256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).