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

C14H14F4N4S — CID 166604960

IUPAC2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1cccnc1CN1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H14F4N4S/c15-10-2-1-3-19-11(10)8-21-4-6-22(7-5-21)13-20-12(9-23-13)14(16,17)18/h1-3,9H,4-8H2
InChIKeyYLNSABBZWAPKHT-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.02
Rot. Bonds3

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

2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166604960) has the molecular formula C14H14F4N4S and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166604960
Molecular FormulaC14H14F4N4S
Molecular Weight346.35 g/mol
Exact Mass346.09
IUPAC Name2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFc1cccnc1CN1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H14F4N4S/c15-10-2-1-3-19-11(10)8-21-4-6-22(7-5-21)13-20-12(9-23-13)14(16,17)18/h1-3,9H,4-8H2
InChIKeyYLNSABBZWAPKHT-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 166604960) is 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is Fc1cccnc1CN1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YLNSABBZWAPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4S/c15-10-2-1-3-19-11(10)8-21-4-6-22(7-5-21)13-20-12(9-23-13)14(16,17)18/h1-3,9H,4-8H2.
What are the key properties of 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 346.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166604960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).