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

C15H10F2N4OS — CID 881082

IUPAC1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccccc1F
InChIInChI=1S/C15H10F2N4OS/c16-10-5-3-4-9(8-10)13-20-21-15(23-13)19-14(22)18-12-7-2-1-6-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKeyOAMGCVIXQZHBCR-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.13
Rot. Bonds3

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

1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 881082) has the molecular formula C15H10F2N4OS and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID881082
Molecular FormulaC15H10F2N4OS
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccccc1F
InChIInChI=1S/C15H10F2N4OS/c16-10-5-3-4-9(8-10)13-20-21-15(23-13)19-14(22)18-12-7-2-1-6-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKeyOAMGCVIXQZHBCR-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea (CID 881082) is 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is OAMGCVIXQZHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4OS/c16-10-5-3-4-9(8-10)13-20-21-15(23-13)19-14(22)18-12-7-2-1-6-11(12)17/h1-8H,(H2,18,19,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 332.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 881082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).