2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

C27H28FN3O2S — CID 3701357

IUPAC2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H28FN3O2S/c28-21-10-8-18(9-11-21)16-25(32)31-14-12-20(13-15-31)27-30-24(17-34-27)26(33)29-23-7-3-5-19-4-1-2-6-22(19)23/h1-2,4,6,8-11,17,20,23H,3,5,7,12-16H2,(H,29,33)
InChIKeyFKJCWWNRWGIEAY-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.04
Rot. Bonds5

About 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3701357) has the molecular formula C27H28FN3O2S and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID3701357
Molecular FormulaC27H28FN3O2S
Molecular Weight477.61 g/mol
Exact Mass477.19
IUPAC Name2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H28FN3O2S/c28-21-10-8-18(9-11-21)16-25(32)31-14-12-20(13-15-31)27-30-24(17-34-27)26(33)29-23-7-3-5-19-4-1-2-6-22(19)23/h1-2,4,6,8-11,17,20,23H,3,5,7,12-16H2,(H,29,33)
InChIKeyFKJCWWNRWGIEAY-UHFFFAOYSA-N
XLogP5.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
2-[1-[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 135363801
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 23909850
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide
CID 23819840
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 23762695
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 3702369
ethyl 3-[2-[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]hydrazinyl]-3-oxopropanoate
CID 3687362
N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3350550
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
CID 3870448
N-[(4-chloro-2-methylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5011218
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23734959
N-(2-ethylpyrazol-3-yl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23911402

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (CID 3701357) is 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCc2ccccc21)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FKJCWWNRWGIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2S/c28-21-10-8-18(9-11-21)16-25(32)31-14-12-20(13-15-31)27-30-24(17-34-27)26(33)29-23-7-3-5-19-4-1-2-6-22(19)23/h1-2,4,6,8-11,17,20,23H,3,5,7,12-16H2,(H,29,33).
What are the key properties of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3701357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).