3,4,5-triphenyl-1,2-thiazole

C21H15NS — CID 13048461

IUPAC3,4,5-triphenyl-1,2-thiazole
SMILESc1ccc(-c2nsc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H15NS/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15H
InChIKeyXJFBQBNTCIKWQN-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.14
Rot. Bonds3

About 3,4,5-triphenyl-1,2-thiazole

3,4,5-triphenyl-1,2-thiazole (PubChem CID 13048461) has the molecular formula C21H15NS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3,4,5-triphenyl-1,2-thiazole.

Molecular Properties

Compound Name3,4,5-triphenyl-1,2-thiazole
PubChem CID13048461
Molecular FormulaC21H15NS
Molecular Weight313.43 g/mol
Exact Mass313.09
IUPAC Name3,4,5-triphenyl-1,2-thiazole
SMILESc1ccc(-c2nsc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C21H15NS/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15H
InChIKeyXJFBQBNTCIKWQN-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-1,2,3-thiadiazole
CID 220169
3-Phenyl-1,2-benzisothiazole
CID 337917
4-Isothiazolecarbonitrile, 5-methyl-3-phenyl-
CID 608189
3,5-Diphenyl-1,2-thiazole
CID 12234748
5-Fluoro-3-phenyl-1,2-benzothiazole
CID 132566226
4,5-Diphenyl-1,2-thiazole
CID 2825099
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
5-Methyl-3-phenyl-1,2-thiazole
CID 12234747
3-Phenyl-2,1-benzothiazole
CID 12255808
3-(4-Methylphenyl)-1,2-benzisothiazole
CID 12614608
3,4-Diphenyl-1,2-thiazole
CID 13048460
3,5-Diphenyl-1,2-thiazole-4-carbonitrile
CID 16220374

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-1,2-thiazole?
The IUPAC name of 3,4,5-triphenyl-1,2-thiazole (CID 13048461) is 3,4,5-triphenyl-1,2-thiazole.
What is the SMILES notation for 3,4,5-triphenyl-1,2-thiazole?
The canonical SMILES for 3,4,5-triphenyl-1,2-thiazole is c1ccc(-c2nsc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3,4,5-triphenyl-1,2-thiazole?
The InChIKey is XJFBQBNTCIKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 3,4,5-triphenyl-1,2-thiazole?
3,4,5-triphenyl-1,2-thiazole has a molecular weight of 313.43 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-1,2-thiazole is sourced from PubChem (CID 13048461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).