N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide

C25H15F2N5O2S — CID 127048592

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2F)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C25H15F2N5O2S/c26-15-6-7-17(19(27)10-15)20-11-32(31-30-20)12-24(33)29-25-28-21(13-35-25)14-5-8-23-18(9-14)16-3-1-2-4-22(16)34-23/h1-11,13H,12H2,(H,28,29,33)
InChIKeyKAYKDRHOEBMVNZ-UHFFFAOYSA-N
MW487.49 g/mol
LogP5.88
Rot. Bonds5

About N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide (PubChem CID 127048592) has the molecular formula C25H15F2N5O2S and a molecular weight of 487.49 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide
PubChem CID127048592
Molecular FormulaC25H15F2N5O2S
Molecular Weight487.49 g/mol
Exact Mass487.09
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2F)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C25H15F2N5O2S/c26-15-6-7-17(19(27)10-15)20-11-32(31-30-20)12-24(33)29-25-28-21(13-35-25)14-5-8-23-18(9-14)16-3-1-2-4-22(16)34-23/h1-11,13H,12H2,(H,28,29,33)
InChIKeyKAYKDRHOEBMVNZ-UHFFFAOYSA-N
XLogP5.88
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide (CID 127048592) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2F)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide?
The InChIKey is KAYKDRHOEBMVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F2N5O2S/c26-15-6-7-17(19(27)10-15)20-11-32(31-30-20)12-24(33)29-25-28-21(13-35-25)14-5-8-23-18(9-14)16-3-1-2-4-22(16)34-23/h1-11,13H,12H2,(H,28,29,33).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide has a molecular weight of 487.49 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127048592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).