4-benzoyl-N-(1,3-thiazol-2-yl)benzamide

C17H12N2O2S — CID 883261

IUPAC4-benzoyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H12N2O2S/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(21)19-17-18-10-11-22-17/h1-11H,(H,18,19,21)
InChIKeySSAOWRVGWUAING-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.63
Rot. Bonds4

About 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide

4-benzoyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 883261) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID883261
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name4-benzoyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H12N2O2S/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(21)19-17-18-10-11-22-17/h1-11H,(H,18,19,21)
InChIKeySSAOWRVGWUAING-UHFFFAOYSA-N
XLogP3.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide (CID 883261) is 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SSAOWRVGWUAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(21)19-17-18-10-11-22-17/h1-11H,(H,18,19,21).
What are the key properties of 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide?
4-benzoyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 883261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).