4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole

C16H8Cl2F3NS — CID 13015387

IUPAC4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H8Cl2F3NS/c17-11-5-1-9(2-6-11)13-14(10-3-7-12(18)8-4-10)23-15(22-13)16(19,20)21/h1-8H
InChIKeyQJRGQWNURIDPSL-UHFFFAOYSA-N
MW374.21 g/mol
LogP6.80
Rot. Bonds2

About 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole

4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 13015387) has the molecular formula C16H8Cl2F3NS and a molecular weight of 374.21 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID13015387
Molecular FormulaC16H8Cl2F3NS
Molecular Weight374.21 g/mol
Exact Mass372.97
IUPAC Name4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H8Cl2F3NS/c17-11-5-1-9(2-6-11)13-14(10-3-7-12(18)8-4-10)23-15(22-13)16(19,20)21/h1-8H
InChIKeyQJRGQWNURIDPSL-UHFFFAOYSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.21
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole (CID 13015387) is 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QJRGQWNURIDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NS/c17-11-5-1-9(2-6-11)13-14(10-3-7-12(18)8-4-10)23-15(22-13)16(19,20)21/h1-8H.
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole?
4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 374.21 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 13015387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).