[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone

C21H20FN3O2S — CID 46971567

IUPAC[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2S/c1-14-19(28-20(24-14)15-3-2-10-23-13-15)21(26)25-11-8-18(9-12-25)27-17-6-4-16(22)5-7-17/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeyIENJTVZHOOAAQZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.34
Rot. Bonds4

About [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone

[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 46971567) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID46971567
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2S/c1-14-19(28-20(24-14)15-3-2-10-23-13-15)21(26)25-11-8-18(9-12-25)27-17-6-4-16(22)5-7-17/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeyIENJTVZHOOAAQZ-UHFFFAOYSA-N
XLogP4.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 55803749
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 166328912
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone (CID 46971567) is [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is IENJTVZHOOAAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-14-19(28-20(24-14)15-3-2-10-23-13-15)21(26)25-11-8-18(9-12-25)27-17-6-4-16(22)5-7-17/h2-7,10,13,18H,8-9,11-12H2,1H3.
What are the key properties of [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 46971567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).