1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C11H10F2N4OS — CID 91643698

IUPAC1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(NCC(F)F)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H10F2N4OS/c12-8(13)6-14-10(18)16-11-15-9(17-19-11)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15,16,17,18)
InChIKeyFZAXUESOJMSHRV-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.59
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 91643698) has the molecular formula C11H10F2N4OS and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID91643698
Molecular FormulaC11H10F2N4OS
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(NCC(F)F)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H10F2N4OS/c12-8(13)6-14-10(18)16-11-15-9(17-19-11)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15,16,17,18)
InChIKeyFZAXUESOJMSHRV-UHFFFAOYSA-N
XLogP2.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 91643698) is 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(NCC(F)F)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is FZAXUESOJMSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS/c12-8(13)6-14-10(18)16-11-15-9(17-19-11)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,14,15,16,17,18).
What are the key properties of 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 284.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 91643698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).