1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea

C11H11FN4OS — CID 881078

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C11H11FN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyBYWXAQGXLRQFMR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea (PubChem CID 881078) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
PubChem CID881078
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESCCc1nnc(NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C11H11FN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17)
InChIKeyBYWXAQGXLRQFMR-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea (CID 881078) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea is CCc1nnc(NC(=O)Nc2ccccc2F)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea?
The InChIKey is BYWXAQGXLRQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H2,13,14,16,17).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea has a molecular weight of 266.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 881078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).