4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole

C22H20F3N7OS — CID 25026302

IUPAC4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C22H20F3N7OS/c23-22(24,25)16-1-6-20(26-11-16)31-9-7-15(8-10-31)21-28-17(13-34-21)12-33-19-4-2-18(3-5-19)32-14-27-29-30-32/h1-6,11,13-15H,7-10,12H2
InChIKeySPTYHZVZFXQAJO-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.50
Rot. Bonds6

About 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole

4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 25026302) has the molecular formula C22H20F3N7OS and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole
PubChem CID25026302
Molecular FormulaC22H20F3N7OS
Molecular Weight487.51 g/mol
Exact Mass487.14
IUPAC Name4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C22H20F3N7OS/c23-22(24,25)16-1-6-20(26-11-16)31-9-7-15(8-10-31)21-28-17(13-34-21)12-33-19-4-2-18(3-5-19)32-14-27-29-30-32/h1-6,11,13-15H,7-10,12H2
InChIKeySPTYHZVZFXQAJO-UHFFFAOYSA-N
XLogP4.50
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole (CID 25026302) is 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole is FC(F)(F)c1ccc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.
What is the InChIKey of 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is SPTYHZVZFXQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7OS/c23-22(24,25)16-1-6-20(26-11-16)31-9-7-15(8-10-31)21-28-17(13-34-21)12-33-19-4-2-18(3-5-19)32-14-27-29-30-32/h1-6,11,13-15H,7-10,12H2.
What are the key properties of 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole?
4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 487.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tetrazol-1-yl)phenoxy]methyl]-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 25026302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).