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

C18H17FN4OS — CID 2896092

IUPAC1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCC(c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C18H17FN4OS/c1-2-13(12-8-4-3-5-9-12)16-22-23-18(25-16)21-17(24)20-15-11-7-6-10-14(15)19/h3-11,13H,2H2,1H3,(H2,20,21,23,24)
InChIKeyKGMOFGFMFGPARJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.86
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 2896092) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID2896092
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCC(c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C18H17FN4OS/c1-2-13(12-8-4-3-5-9-12)16-22-23-18(25-16)21-17(24)20-15-11-7-6-10-14(15)19/h3-11,13H,2H2,1H3,(H2,20,21,23,24)
InChIKeyKGMOFGFMFGPARJ-UHFFFAOYSA-N
XLogP4.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.86
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-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea (CID 2896092) is 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea is CCC(c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is KGMOFGFMFGPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-2-13(12-8-4-3-5-9-12)16-22-23-18(25-16)21-17(24)20-15-11-7-6-10-14(15)19/h3-11,13H,2H2,1H3,(H2,20,21,23,24).
What are the key properties of 1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 356.43 g/mol, XLogP of 4.86, 5 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-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 2896092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).