[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C24H24F4N4O2S — CID 58416807

IUPAC[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OC(c1nccs1)C(F)(F)F
InChIInChI=1S/C24H24F4N4O2S/c25-18-6-4-17(5-7-18)19-2-1-3-20(31-19)32-13-9-16(10-14-32)8-11-30-23(33)34-21(24(26,27)28)22-29-12-15-35-22/h1-7,12,15-16,21H,8-11,13-14H2,(H,30,33)
InChIKeyDFEHJJOXANUQIX-UHFFFAOYSA-N
MW508.54 g/mol
LogP5.98
Rot. Bonds7

About [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 58416807) has the molecular formula C24H24F4N4O2S and a molecular weight of 508.54 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID58416807
Molecular FormulaC24H24F4N4O2S
Molecular Weight508.54 g/mol
Exact Mass508.16
IUPAC Name[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OC(c1nccs1)C(F)(F)F
InChIInChI=1S/C24H24F4N4O2S/c25-18-6-4-17(5-7-18)19-2-1-3-20(31-19)32-13-9-16(10-14-32)8-11-30-23(33)34-21(24(26,27)28)22-29-12-15-35-22/h1-7,12,15-16,21H,8-11,13-14H2,(H,30,33)
InChIKeyDFEHJJOXANUQIX-UHFFFAOYSA-N
XLogP5.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridin-2-yl-8-[[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159473
US10202371, Example 1
CID 73774658
US10202371, Example 11
CID 90134588
US9434719, 248 as TFA salt
CID 90451998
US9434719, 428 as TFA salt
CID 90452083
US9434719, 440 as TFA salt
CID 90452094
US9434719, 392 as TFA salt
CID 90454341
US9434719, 393 as TFA salt
CID 90454446
US11407737, Example 15
CID 162764875
ethyl N-[4-[2-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]pyridin-2-yl]carbamate
CID 149618899
N-[(3-Fluorophenyl)methyl]-2-[6-(morpholin-4-YL)pyridin-3-YL]-1,3-thiazole-4-carboxamide
CID 53145784
N-[(2-Fluorophenyl)methyl]-2-[6-(morpholin-4-YL)pyridin-3-YL]-1,3-thiazole-4-carboxamide
CID 53145837

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 58416807) is [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)OC(c1nccs1)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is DFEHJJOXANUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2S/c25-18-6-4-17(5-7-18)19-2-1-3-20(31-19)32-13-9-16(10-14-32)8-11-30-23(33)34-21(24(26,27)28)22-29-12-15-35-22/h1-7,12,15-16,21H,8-11,13-14H2,(H,30,33).
What are the key properties of [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 508.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl] N-[2-[1-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 58416807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).