1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea

C9H7FN4OS — CID 11379409

IUPAC1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnns1
InChIInChI=1S/C9H7FN4OS/c10-6-1-3-7(4-2-6)12-9(15)13-8-5-11-14-16-8/h1-5H,(H2,12,13,15)
InChIKeyPBSSHCZLBSYLGY-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.32
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea (PubChem CID 11379409) has the molecular formula C9H7FN4OS and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
PubChem CID11379409
Molecular FormulaC9H7FN4OS
Molecular Weight238.25 g/mol
Exact Mass238.03
IUPAC Name1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cnns1
InChIInChI=1S/C9H7FN4OS/c10-6-1-3-7(4-2-6)12-9(15)13-8-5-11-14-16-8/h1-5H,(H2,12,13,15)
InChIKeyPBSSHCZLBSYLGY-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea (CID 11379409) is 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea is O=C(Nc1ccc(F)cc1)Nc1cnns1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is PBSSHCZLBSYLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4OS/c10-6-1-3-7(4-2-6)12-9(15)13-8-5-11-14-16-8/h1-5H,(H2,12,13,15).
What are the key properties of 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea?
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 11379409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).