4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

C17H11ClF3NS — CID 159061814

IUPAC4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Cc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H11ClF3NS/c18-14-6-4-12(5-7-14)15-10-23-16(22-15)9-11-2-1-3-13(8-11)17(19,20)21/h1-8,10H,9H2
InChIKeyVTHPZVQBKSNMQR-UHFFFAOYSA-N
MW353.80 g/mol
LogP6.07
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 159061814) has the molecular formula C17H11ClF3NS and a molecular weight of 353.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
PubChem CID159061814
Molecular FormulaC17H11ClF3NS
Molecular Weight353.80 g/mol
Exact Mass353.03
IUPAC Name4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(Cc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H11ClF3NS/c18-14-6-4-12(5-7-14)15-10-23-16(22-15)9-11-2-1-3-13(8-11)17(19,20)21/h1-8,10H,9H2
InChIKeyVTHPZVQBKSNMQR-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.80
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole
CID 159715926
N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
CID 159715925
5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
CID 157277638
N-(2,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3512008
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 143872478
4-(4-nitrophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1,3-thiazole
CID 2742504
1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115089163
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46395018
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
4-(4-chlorophenyl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709240

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 159061814) is 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is FC(F)(F)c1cccc(Cc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is VTHPZVQBKSNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NS/c18-14-6-4-12(5-7-14)15-10-23-16(22-15)9-11-2-1-3-13(8-11)17(19,20)21/h1-8,10H,9H2.
What are the key properties of 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 353.80 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 159061814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).