4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole

C16H10ClF3N2OS — CID 2746093

IUPAC4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cn1
InChIInChI=1S/C16H10ClF3N2OS/c17-12-4-1-10(2-5-12)13-8-24-15(22-13)11-3-6-14(21-7-11)23-9-16(18,19)20/h1-8H,9H2
InChIKeyQHPWVZLAQCNPNI-UHFFFAOYSA-N
MW370.78 g/mol
LogP5.47
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole (PubChem CID 2746093) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole
PubChem CID2746093
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cn1
InChIInChI=1S/C16H10ClF3N2OS/c17-12-4-1-10(2-5-12)13-8-24-15(22-13)11-3-6-14(21-7-11)23-9-16(18,19)20/h1-8H,9H2
InChIKeyQHPWVZLAQCNPNI-UHFFFAOYSA-N
XLogP5.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole (CID 2746093) is 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole is FC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole?
The InChIKey is QHPWVZLAQCNPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-12-4-1-10(2-5-12)13-8-24-15(22-13)11-3-6-14(21-7-11)23-9-16(18,19)20/h1-8H,9H2.
What are the key properties of 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole has a molecular weight of 370.78 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 2746093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).