1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

C22H15F2N3OS — CID 122286296

IUPAC1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C22H15F2N3OS/c23-16-10-17(24)12-19(11-16)26-22(28)25-18-8-6-14(7-9-18)20-13-29-21(27-20)15-4-2-1-3-5-15/h1-13H,(H2,25,26,28)
InChIKeyRAKFOAHAYYWHKD-UHFFFAOYSA-N
MW407.45 g/mol
LogP6.40
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 122286296) has the molecular formula C22H15F2N3OS and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID122286296
Molecular FormulaC22H15F2N3OS
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C22H15F2N3OS/c23-16-10-17(24)12-19(11-16)26-22(28)25-18-8-6-14(7-9-18)20-13-29-21(27-20)15-4-2-1-3-5-15/h1-13H,(H2,25,26,28)
InChIKeyRAKFOAHAYYWHKD-UHFFFAOYSA-N
XLogP6.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (CID 122286296) is 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is RAKFOAHAYYWHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3OS/c23-16-10-17(24)12-19(11-16)26-22(28)25-18-8-6-14(7-9-18)20-13-29-21(27-20)15-4-2-1-3-5-15/h1-13H,(H2,25,26,28).
What are the key properties of 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 407.45 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 122286296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).