2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole

C14H15F3N4S — CID 120910189

IUPAC2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C14H15F3N4S/c15-14(16,17)12-8-20-13(22-12)9-21-6-5-19-7-11(21)10-1-3-18-4-2-10/h1-4,8,11,19H,5-7,9H2
InChIKeyYTRQRYGQYKGNES-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.70
Rot. Bonds3

About 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole

2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 120910189) has the molecular formula C14H15F3N4S and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID120910189
Molecular FormulaC14H15F3N4S
Molecular Weight328.36 g/mol
Exact Mass328.10
IUPAC Name2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C14H15F3N4S/c15-14(16,17)12-8-20-13(22-12)9-21-6-5-19-7-11(21)10-1-3-18-4-2-10/h1-4,8,11,19H,5-7,9H2
InChIKeyYTRQRYGQYKGNES-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole (CID 120910189) is 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cnc(CN2CCNCC2c2ccncc2)s1.
What is the InChIKey of 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YTRQRYGQYKGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S/c15-14(16,17)12-8-20-13(22-12)9-21-6-5-19-7-11(21)10-1-3-18-4-2-10/h1-4,8,11,19H,5-7,9H2.
What are the key properties of 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole?
2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 328.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120910189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).