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

C16H12F2N4OS — CID 881236

IUPAC1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H12F2N4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23)
InChIKeySZFPEOXAYNGVAZ-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.05
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea (PubChem CID 881236) has the molecular formula C16H12F2N4OS and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
PubChem CID881236
Molecular FormulaC16H12F2N4OS
Molecular Weight346.36 g/mol
Exact Mass346.07
IUPAC Name1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H12F2N4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23)
InChIKeySZFPEOXAYNGVAZ-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.05
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-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea (CID 881236) is 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(Cc2ccc(F)cc2)s1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is SZFPEOXAYNGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23).
What are the key properties of 1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 346.36 g/mol, XLogP of 4.05, 4 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-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).