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

C10H9FN4OS — CID 881101

IUPAC1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyPOOODJUQJRMADQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.63
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 881101) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID881101
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyPOOODJUQJRMADQ-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.63
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-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 881101) is 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is POOODJUQJRMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,15,16).
What are the key properties of 1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(4-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 252.27 g/mol, XLogP of 2.63, 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-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 881101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).