[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

C22H18ClFN2O3S — CID 86939209

IUPAC[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H18ClFN2O3S/c23-15-5-3-4-14(12-15)20-25-19(13-30-20)22(28)29-16-8-10-26(11-9-16)21(27)17-6-1-2-7-18(17)24/h1-7,12-13,16H,8-11H2
InChIKeyGFUUEHATYBEVHS-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.06
Rot. Bonds4

About [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 86939209) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID86939209
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC Name[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H18ClFN2O3S/c23-15-5-3-4-14(12-15)20-25-19(13-30-20)22(28)29-16-8-10-26(11-9-16)21(27)17-6-1-2-7-18(17)24/h1-7,12-13,16H,8-11H2
InChIKeyGFUUEHATYBEVHS-UHFFFAOYSA-N
XLogP5.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561577
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623241
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 78845987
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119416065
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[4-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55573968
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 112836686
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789234
(5-chloro-2-fluorophenyl)-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone
CID 55724441
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate (CID 86939209) is [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GFUUEHATYBEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-15-5-3-4-14(12-15)20-25-19(13-30-20)22(28)29-16-8-10-26(11-9-16)21(27)17-6-1-2-7-18(17)24/h1-7,12-13,16H,8-11H2.
What are the key properties of [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate?
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 444.92 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorobenzoyl)piperidin-4-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86939209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).