N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C23H14F2N2O2S — CID 162665401

IUPACN-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccccc1
InChIInChI=1S/C23H14F2N2O2S/c24-16-11-12-17(18(25)13-16)20(28)21-19(14-7-3-1-4-8-14)26-23(30-21)27-22(29)15-9-5-2-6-10-15/h1-13H,(H,26,27,29)
InChIKeyTZEPHGNXKFLTDO-UHFFFAOYSA-N
MW420.44 g/mol
LogP5.57
Rot. Bonds5

About N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 162665401) has the molecular formula C23H14F2N2O2S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID162665401
Molecular FormulaC23H14F2N2O2S
Molecular Weight420.44 g/mol
Exact Mass420.07
IUPAC NameN-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccccc1
InChIInChI=1S/C23H14F2N2O2S/c24-16-11-12-17(18(25)13-16)20(28)21-19(14-7-3-1-4-8-14)26-23(30-21)27-22(29)15-9-5-2-6-10-15/h1-13H,(H,26,27,29)
InChIKeyTZEPHGNXKFLTDO-UHFFFAOYSA-N
XLogP5.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 162665401) is N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(F)cc2F)s1)c1ccccc1.
What is the InChIKey of N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is TZEPHGNXKFLTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O2S/c24-16-11-12-17(18(25)13-16)20(28)21-19(14-7-3-1-4-8-14)26-23(30-21)27-22(29)15-9-5-2-6-10-15/h1-13H,(H,26,27,29).
What are the key properties of N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 162665401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).