2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole

C19H19NS — CID 122594500

IUPAC2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
SMILESCC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H19NS/c1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyQOWHNHHUUWEKOL-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.77
Rot. Bonds2

About 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole

2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole (PubChem CID 122594500) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
PubChem CID122594500
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
SMILESCC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H19NS/c1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyQOWHNHHUUWEKOL-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole (CID 122594500) is 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole is CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole?
The InChIKey is QOWHNHHUUWEKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole?
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole has a molecular weight of 293.44 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 122594500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).