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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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).