4-benzyl-2,5-diphenyl-1,3-thiazole

C22H17NS — CID 46862429

IUPAC4-benzyl-2,5-diphenyl-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C22H17NS/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyUXWSROOXIJGAAW-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.07
Rot. Bonds4

About 4-benzyl-2,5-diphenyl-1,3-thiazole

4-benzyl-2,5-diphenyl-1,3-thiazole (PubChem CID 46862429) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-benzyl-2,5-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-2,5-diphenyl-1,3-thiazole
PubChem CID46862429
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name4-benzyl-2,5-diphenyl-1,3-thiazole
SMILESc1ccc(Cc2nc(-c3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C22H17NS/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyUXWSROOXIJGAAW-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 166805666
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
2-(4-ethyl-5-phenyl-1,3-thiazol-2-yl)aniline
CID 79007291
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
(4-methylphenyl) 2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetate
CID 7901017
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol
CID 13435383
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804
N',N'-dimethyl-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetohydrazide
CID 9164043

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5-diphenyl-1,3-thiazole?
The IUPAC name of 4-benzyl-2,5-diphenyl-1,3-thiazole (CID 46862429) is 4-benzyl-2,5-diphenyl-1,3-thiazole.
What is the SMILES notation for 4-benzyl-2,5-diphenyl-1,3-thiazole?
The canonical SMILES for 4-benzyl-2,5-diphenyl-1,3-thiazole is c1ccc(Cc2nc(-c3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-benzyl-2,5-diphenyl-1,3-thiazole?
The InChIKey is UXWSROOXIJGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 4-benzyl-2,5-diphenyl-1,3-thiazole?
4-benzyl-2,5-diphenyl-1,3-thiazole has a molecular weight of 327.45 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,5-diphenyl-1,3-thiazole is sourced from PubChem (CID 46862429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).