N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C23H21F3N4O2S — CID 166180297

IUPACN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C23H21F3N4O2S/c24-23(25,26)16-3-1-2-15(12-16)22-29-19(13-33-22)21(32)28-17-4-6-18(7-5-17)30-10-8-14(9-11-30)20(27)31/h1-7,12-14H,8-11H2,(H2,27,31)(H,28,32)
InChIKeyOJBKMMNQRRFZAV-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 166180297) has the molecular formula C23H21F3N4O2S and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID166180297
Molecular FormulaC23H21F3N4O2S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1
InChIInChI=1S/C23H21F3N4O2S/c24-23(25,26)16-3-1-2-15(12-16)22-29-19(13-33-22)21(32)28-17-4-6-18(7-5-17)30-10-8-14(9-11-30)20(27)31/h1-7,12-14H,8-11H2,(H2,27,31)(H,28,32)
InChIKeyOJBKMMNQRRFZAV-UHFFFAOYSA-N
XLogP4.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119616726
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 58867127
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119408105
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110000611
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 58867808
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 166201112
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60616360
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 166180297) is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is NC(=O)C1CCN(c2ccc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OJBKMMNQRRFZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2S/c24-23(25,26)16-3-1-2-15(12-16)22-29-19(13-33-22)21(32)28-17-4-6-18(7-5-17)30-10-8-14(9-11-30)20(27)31/h1-7,12-14H,8-11H2,(H2,27,31)(H,28,32).
What are the key properties of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166180297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).