4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C20H20N2OS — CID 824266

IUPAC4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2OS/c1-20(2,3)16-11-9-15(10-12-16)18(23)22-19-21-17(13-24-19)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22,23)
InChIKeyJXOGYJOCFUSOPS-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.36
Rot. Bonds3

About 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 824266) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID824266
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H20N2OS/c1-20(2,3)16-11-9-15(10-12-16)18(23)22-19-21-17(13-24-19)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22,23)
InChIKeyJXOGYJOCFUSOPS-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 824266) is 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JXOGYJOCFUSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-20(2,3)16-11-9-15(10-12-16)18(23)22-19-21-17(13-24-19)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 336.46 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 824266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).