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

C14H10FN5OS — CID 948551

IUPAC1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H10FN5OS/c15-10-1-3-11(4-2-10)17-13(21)18-14-20-19-12(22-14)9-5-7-16-8-6-9/h1-8H,(H2,17,18,20,21)
InChIKeyRMOCZAYXRHRQBE-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.38
Rot. Bonds3

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

1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 948551) has the molecular formula C14H10FN5OS and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID948551
Molecular FormulaC14H10FN5OS
Molecular Weight315.33 g/mol
Exact Mass315.06
IUPAC Name1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H10FN5OS/c15-10-1-3-11(4-2-10)17-13(21)18-14-20-19-12(22-14)9-5-7-16-8-6-9/h1-8H,(H2,17,18,20,21)
InChIKeyRMOCZAYXRHRQBE-UHFFFAOYSA-N
XLogP3.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (CID 948551) is 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is RMOCZAYXRHRQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5OS/c15-10-1-3-11(4-2-10)17-13(21)18-14-20-19-12(22-14)9-5-7-16-8-6-9/h1-8H,(H2,17,18,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 315.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 948551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).