4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole

C23H25FN2O3S2 — CID 147295180

IUPAC4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole
SMILESCc1cc(S(=O)(=O)Cc2cscn2)c(F)cc1OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3S2/c1-17-11-23(31(27,28)15-19-14-30-16-25-19)21(24)12-22(17)29-20-7-9-26(10-8-20)13-18-5-3-2-4-6-18/h2-6,11-12,14,16,20H,7-10,13,15H2,1H3
InChIKeyCUZCTIOVOAJMHN-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.61
Rot. Bonds7

About 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole

4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole (PubChem CID 147295180) has the molecular formula C23H25FN2O3S2 and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole
PubChem CID147295180
Molecular FormulaC23H25FN2O3S2
Molecular Weight460.60 g/mol
Exact Mass460.13
IUPAC Name4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole
SMILESCc1cc(S(=O)(=O)Cc2cscn2)c(F)cc1OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3S2/c1-17-11-23(31(27,28)15-19-14-30-16-25-19)21(24)12-22(17)29-20-7-9-26(10-8-20)13-18-5-3-2-4-6-18/h2-6,11-12,14,16,20H,7-10,13,15H2,1H3
InChIKeyCUZCTIOVOAJMHN-UHFFFAOYSA-N
XLogP4.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole (CID 147295180) is 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole is Cc1cc(S(=O)(=O)Cc2cscn2)c(F)cc1OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole?
The InChIKey is CUZCTIOVOAJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S2/c1-17-11-23(31(27,28)15-19-14-30-16-25-19)21(24)12-22(17)29-20-7-9-26(10-8-20)13-18-5-3-2-4-6-18/h2-6,11-12,14,16,20H,7-10,13,15H2,1H3.
What are the key properties of 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole?
4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole has a molecular weight of 460.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-benzylpiperidin-4-yl)oxy-2-fluoro-5-methylphenyl]sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 147295180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).