3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole

C21H17NS — CID 140714664

IUPAC3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)SCN1c1ccccc1
InChIInChI=1S/C21H17NS/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20/h1-15H,16H2
InChIKeyKWBWHPXBYRMBJB-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.86
Rot. Bonds3

About 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole

3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole (PubChem CID 140714664) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole
PubChem CID140714664
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)SCN1c1ccccc1
InChIInChI=1S/C21H17NS/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20/h1-15H,16H2
InChIKeyKWBWHPXBYRMBJB-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diphenyl-2,4-dihydro-1,3-thiazine
CID 175817384
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,1'-biphenyl;molecular hydrogen
CID 173033571
3,5-diphenyl-1,2-dihydroimidazole
CID 118519198
benzene;tris(1,1'-biphenyl)
CID 162155747
1-(4-phenylphenyl)aziridine
CID 152682568
3-chloro-1-(4-phenylphenyl)-2H-pyrazine
CID 151004362
4-phenyl-1,2,4-dithiazolidine
CID 101427405
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
1,1'-biphenyl;cycloheptane
CID 174877368
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;sulfanylidenephosphanium
CID 161040824

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole?
The IUPAC name of 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole (CID 140714664) is 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole?
The canonical SMILES for 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole is C1=C(c2ccc(-c3ccccc3)cc2)SCN1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole?
The InChIKey is KWBWHPXBYRMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-22(16-23-21)20-9-5-2-6-10-20/h1-15H,16H2.
What are the key properties of 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole?
3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole has a molecular weight of 315.44 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole is sourced from PubChem (CID 140714664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).