2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole

C15H17F3N4S — CID 133476438

IUPAC2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N4S/c1-11(14-20-5-10-23-14)21-6-8-22(9-7-21)13-12(15(16,17)18)3-2-4-19-13/h2-5,10-11H,6-9H2,1H3
InChIKeyATASIZNABBPDQZ-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476438) has the molecular formula C15H17F3N4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476438
Molecular FormulaC15H17F3N4S
Molecular Weight342.39 g/mol
Exact Mass342.11
IUPAC Name2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N4S/c1-11(14-20-5-10-23-14)21-6-8-22(9-7-21)13-12(15(16,17)18)3-2-4-19-13/h2-5,10-11H,6-9H2,1H3
InChIKeyATASIZNABBPDQZ-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
2-[1-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476620
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133476364
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476564
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476612
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133476421
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476702
2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476438) is 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is ATASIZNABBPDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4S/c1-11(14-20-5-10-23-14)21-6-8-22(9-7-21)13-12(15(16,17)18)3-2-4-19-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 342.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).