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

C16H13FN4O2S — CID 950184

IUPAC1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(COc2ccccc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H13FN4O2S/c17-12-8-4-5-9-13(12)18-15(22)19-16-21-20-14(24-16)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,19,21,22)
InChIKeyUBFAFTQUROIHSG-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.90
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 950184) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID950184
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1nnc(COc2ccccc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H13FN4O2S/c17-12-8-4-5-9-13(12)18-15(22)19-16-21-20-14(24-16)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,19,21,22)
InChIKeyUBFAFTQUROIHSG-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea (CID 950184) is 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1nnc(COc2ccccc2)s1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is UBFAFTQUROIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-12-8-4-5-9-13(12)18-15(22)19-16-21-20-14(24-16)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,19,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 344.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 950184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).