1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

C13H8F2N4O2S — CID 166962679

IUPAC1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H8F2N4O2S/c14-8-4-3-7(6-9(8)15)16-12(20)17-13-19-18-11(22-13)10-2-1-5-21-10/h1-6H,(H2,16,17,19,20)
InChIKeyZLOAFXDKUZRSLV-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.72
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 166962679) has the molecular formula C13H8F2N4O2S and a molecular weight of 322.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID166962679
Molecular FormulaC13H8F2N4O2S
Molecular Weight322.30 g/mol
Exact Mass322.03
IUPAC Name1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H8F2N4O2S/c14-8-4-3-7(6-9(8)15)16-12(20)17-13-19-18-11(22-13)10-2-1-5-21-10/h1-6H,(H2,16,17,19,20)
InChIKeyZLOAFXDKUZRSLV-UHFFFAOYSA-N
XLogP3.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 166962679) is 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1ccc(F)c(F)c1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is ZLOAFXDKUZRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2S/c14-8-4-3-7(6-9(8)15)16-12(20)17-13-19-18-11(22-13)10-2-1-5-21-10/h1-6H,(H2,16,17,19,20).
What are the key properties of 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 322.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 166962679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).