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

C11H10FN3OS — CID 871363

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
SMILESCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C11H10FN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyNMLZRGXOEYCTHI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.49
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (PubChem CID 871363) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
PubChem CID871363
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
SMILESCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C11H10FN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyNMLZRGXOEYCTHI-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (CID 871363) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is CCc1nnc(NC(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The InChIKey is NMLZRGXOEYCTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-2-9-14-15-11(17-9)13-10(16)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide has a molecular weight of 251.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 871363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).