4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole

C18H10F3N3S2 — CID 2742422

IUPAC4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C18H10F3N3S2/c19-18(20,21)14-7-5-11(6-8-14)15-9-25-17(22-15)13-3-1-12(2-4-13)16-10-26-24-23-16/h1-10H
InChIKeyUOANEZPYASZEKF-UHFFFAOYSA-N
MW389.43 g/mol
LogP6.01
Rot. Bonds3

About 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole

4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole (PubChem CID 2742422) has the molecular formula C18H10F3N3S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole
PubChem CID2742422
Molecular FormulaC18H10F3N3S2
Molecular Weight389.43 g/mol
Exact Mass389.03
IUPAC Name4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1
InChIInChI=1S/C18H10F3N3S2/c19-18(20,21)14-7-5-11(6-8-14)15-9-25-17(22-15)13-3-1-12(2-4-13)16-10-26-24-23-16/h1-10H
InChIKeyUOANEZPYASZEKF-UHFFFAOYSA-N
XLogP6.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-1,2,3-thiadiazole
CID 2815209
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 1473456
2-(2,3-Difluorophenyl)-4-phenyl-1,3-thiazole
CID 71459803
2-Phenyl-4-(4-(trifluoromethyl)phenyl)thiazole
CID 46911999
4-(3,4-Difluorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-thiazole
CID 2742427
4-(4-Biphenylyl)-2-methylthiazole
CID 90635
4-(4-Methylphenyl)-2-phenyl-1,3-thiazole
CID 715103
4-(4-Fluorophenyl)-2-phenyl-1,3-thiazole
CID 4063848
1,2-Bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene
CID 15363739
5-[3,3,4,4,5,5-Hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole
CID 15363741
US9969726, Example 15
CID 130289102
4-Phenyl-2-(p-tolyl)thiazole
CID 12411172

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole?
The IUPAC name of 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole (CID 2742422) is 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole.
What is the SMILES notation for 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole?
The canonical SMILES for 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole is FC(F)(F)c1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole?
The InChIKey is UOANEZPYASZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3S2/c19-18(20,21)14-7-5-11(6-8-14)15-9-25-17(22-15)13-3-1-12(2-4-13)16-10-26-24-23-16/h1-10H.
What are the key properties of 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole?
4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole has a molecular weight of 389.43 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole is sourced from PubChem (CID 2742422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).