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4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C21H22N2OS — CID 18876296

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(Cc2cnc(NC(=O)c3ccc(CC)cc3)s2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-15-5-7-17(8-6-15)13-19-14-22-21(25-19)23-20(24)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)
InChIKeyBDRHTGLBQPDGPO-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.11
Rot. Bonds6

About 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18876296) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18876296
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(Cc2cnc(NC(=O)c3ccc(CC)cc3)s2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-15-5-7-17(8-6-15)13-19-14-22-21(25-19)23-20(24)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)
InChIKeyBDRHTGLBQPDGPO-UHFFFAOYSA-N
XLogP5.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 18876296) is 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is CCc1ccc(Cc2cnc(NC(=O)c3ccc(CC)cc3)s2)cc1.
What is the InChIKey of 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BDRHTGLBQPDGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-15-5-7-17(8-6-15)13-19-14-22-21(25-19)23-20(24)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24).
What are the key properties of 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18876296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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