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

C26H29ClFN3OS — CID 59209829

IUPACN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN1CCC(c2nc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C26H29ClFN3OS/c1-3-17(2)15-31-12-10-19(11-13-31)26-30-24(16-33-26)25(32)29-23-9-8-21(28)14-22(23)18-4-6-20(27)7-5-18/h4-9,14,16-17,19H,3,10-13,15H2,1-2H3,(H,29,32)
InChIKeyXEFWWZKIAFKPTP-UHFFFAOYSA-N
MW486.06 g/mol
LogP7.08
Rot. Bonds7

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

N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209829) has the molecular formula C26H29ClFN3OS and a molecular weight of 486.06 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59209829
Molecular FormulaC26H29ClFN3OS
Molecular Weight486.06 g/mol
Exact Mass485.17
IUPAC NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN1CCC(c2nc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C26H29ClFN3OS/c1-3-17(2)15-31-12-10-19(11-13-31)26-30-24(16-33-26)25(32)29-23-9-8-21(28)14-22(23)18-4-6-20(27)7-5-18/h4-9,14,16-17,19H,3,10-13,15H2,1-2H3,(H,29,32)
InChIKeyXEFWWZKIAFKPTP-UHFFFAOYSA-N
XLogP7.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.06
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(ethylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210130
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(3-pyridin-4-ylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 72531367
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208871
N-[4-fluoro-2-(4-hydroxyphenyl)phenyl]-2-[1-[2-methyl-2-(methyldisulfanyl)propyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982926
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-hex-5-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209724
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(prop-2-enylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89090256
2-[1-(2-ethylhexyl)piperidin-4-yl]-N-[2-(4-fluorophenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209602
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209971
N-(2-tert-butylphenyl)-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209425
2-[1-(butylcarbamothioyl)piperidin-4-yl]-N-[4-fluoro-2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 89200258
N-[2-(4-fluorophenyl)phenyl]-2-[1-(2-methylbutylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209712
2-[1-(2-methylbutyl)piperidin-4-yl]-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59210146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209829) is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CCC(C)CN1CCC(c2nc(C(=O)Nc3ccc(F)cc3-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XEFWWZKIAFKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN3OS/c1-3-17(2)15-31-12-10-19(11-13-31)26-30-24(16-33-26)25(32)29-23-9-8-21(28)14-22(23)18-4-6-20(27)7-5-18/h4-9,14,16-17,19H,3,10-13,15H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-[1-(2-methylbutyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).