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

C15H8ClF3N2S — CID 2745980

IUPAC4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H8ClF3N2S/c16-10-3-1-9(2-4-10)13-8-22-14(21-13)11-7-20-6-5-12(11)15(17,18)19/h1-8H
InChIKeyKFPTYQXQXLWGTN-UHFFFAOYSA-N
MW340.76 g/mol
LogP5.54
Rot. Bonds2

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

4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 2745980) has the molecular formula C15H8ClF3N2S and a molecular weight of 340.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID2745980
Molecular FormulaC15H8ClF3N2S
Molecular Weight340.76 g/mol
Exact Mass340.00
IUPAC Name4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H8ClF3N2S/c16-10-3-1-9(2-4-10)13-8-22-14(21-13)11-7-20-6-5-12(11)15(17,18)19/h1-8H
InChIKeyKFPTYQXQXLWGTN-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.76
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 2745980) is 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is FC(F)(F)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is KFPTYQXQXLWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2S/c16-10-3-1-9(2-4-10)13-8-22-14(21-13)11-7-20-6-5-12(11)15(17,18)19/h1-8H.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 340.76 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 2745980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).