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

C23H15ClN2O2S — CID 982683

IUPACN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1
InChIInChI=1S/C23H15ClN2O2S/c24-18-13-11-16(12-14-18)20(27)21-19(15-7-3-1-4-8-15)25-23(29-21)26-22(28)17-9-5-2-6-10-17/h1-14H,(H,25,26,28)
InChIKeyNJTBKCWDDYQTJT-UHFFFAOYSA-N
MW418.91 g/mol
LogP5.95
Rot. Bonds5

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

N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 982683) has the molecular formula C23H15ClN2O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID982683
Molecular FormulaC23H15ClN2O2S
Molecular Weight418.91 g/mol
Exact Mass418.05
IUPAC NameN-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1
InChIInChI=1S/C23H15ClN2O2S/c24-18-13-11-16(12-14-18)20(27)21-19(15-7-3-1-4-8-15)25-23(29-21)26-22(28)17-9-5-2-6-10-17/h1-14H,(H,25,26,28)
InChIKeyNJTBKCWDDYQTJT-UHFFFAOYSA-N
XLogP5.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.91
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 982683) is N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is NJTBKCWDDYQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2S/c24-18-13-11-16(12-14-18)20(27)21-19(15-7-3-1-4-8-15)25-23(29-21)26-22(28)17-9-5-2-6-10-17/h1-14H,(H,25,26,28).
What are the key properties of N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 418.91 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 982683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).