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

C15H11FN4OS — CID 808856

IUPAC1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C15H11FN4OS/c16-12-9-5-4-8-11(12)13-19-20-15(22-13)18-14(21)17-10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21)
InChIKeyWIHFQPUMCDVFPB-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.99
Rot. Bonds3

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

1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea (PubChem CID 808856) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
PubChem CID808856
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C15H11FN4OS/c16-12-9-5-4-8-11(12)13-19-20-15(22-13)18-14(21)17-10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21)
InChIKeyWIHFQPUMCDVFPB-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 744032
2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 168719703
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 61037549
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
CID 156585106
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 93242439
(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 124582402
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
methyl 2-[[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 41017055
N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea (CID 808856) is 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2F)s1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The InChIKey is WIHFQPUMCDVFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-12-9-5-4-8-11(12)13-19-20-15(22-13)18-14(21)17-10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21).
What are the key properties of 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea has a molecular weight of 314.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 808856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).