2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C19H16N2O2S — CID 3042318

IUPAC2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H16N2O2S/c1-13(18(23)21-19-20-10-11-24-19)15-8-5-9-16(12-15)17(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)
InChIKeyOIIAVXZGGJLVSO-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.12
Rot. Bonds5

About 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide

2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3042318) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3042318
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H16N2O2S/c1-13(18(23)21-19-20-10-11-24-19)15-8-5-9-16(12-15)17(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23)
InChIKeyOIIAVXZGGJLVSO-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 3042318) is 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OIIAVXZGGJLVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13(18(23)21-19-20-10-11-24-19)15-8-5-9-16(12-15)17(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,23).
What are the key properties of 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3042318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).