[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

C21H17F3N2O2S — CID 112836686

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H17F3N2O2S/c22-14-3-1-13(2-4-14)20-25-18(12-29-20)21(27)26-9-7-16(8-10-26)28-19-6-5-15(23)11-17(19)24/h1-6,11-12,16H,7-10H2
InChIKeySHRYHOMDGJXYJH-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.91
Rot. Bonds4

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 112836686) has the molecular formula C21H17F3N2O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID112836686
Molecular FormulaC21H17F3N2O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H17F3N2O2S/c22-14-3-1-13(2-4-14)20-25-18(12-29-20)21(27)26-9-7-16(8-10-26)28-19-6-5-15(23)11-17(19)24/h1-6,11-12,16H,7-10H2
InChIKeySHRYHOMDGJXYJH-UHFFFAOYSA-N
XLogP4.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 120819745
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
(2-ethoxyphenyl)-[4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 78892405
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 112836686) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is SHRYHOMDGJXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2S/c22-14-3-1-13(2-4-14)20-25-18(12-29-20)21(27)26-9-7-16(8-10-26)28-19-6-5-15(23)11-17(19)24/h1-6,11-12,16H,7-10H2.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 418.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 112836686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).