N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

C23H24F3N3O3S — CID 172559960

IUPACN-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCOC1CCN(Cc2csc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)oc3C)n2)CC1
InChIInChI=1S/C23H24F3N3O3S/c1-14-19(11-20(32-14)15-4-3-5-16(10-15)23(24,25)26)21(30)28-22-27-17(13-33-22)12-29-8-6-18(31-2)7-9-29/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,27,28,30)
InChIKeyXAPHXOUYGTZXBR-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.59
Rot. Bonds6

About N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 172559960) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID172559960
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC NameN-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCOC1CCN(Cc2csc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)oc3C)n2)CC1
InChIInChI=1S/C23H24F3N3O3S/c1-14-19(11-20(32-14)15-4-3-5-16(10-15)23(24,25)26)21(30)28-22-27-17(13-33-22)12-29-8-6-18(31-2)7-9-29/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,27,28,30)
InChIKeyXAPHXOUYGTZXBR-UHFFFAOYSA-N
XLogP5.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559940
2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]furan-3-carboxamide
CID 172559973
N-[4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559955
N-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559944
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6484584
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
CID 55451656
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 4898733
1-[5-[[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carbonyl]amino]-1,2,4-thiadiazol-3-yl]propan-2-yl 4-methylbenzenesulfonate
CID 175169710
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 30186123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 172559960) is N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is COC1CCN(Cc2csc(NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)oc3C)n2)CC1.
What is the InChIKey of N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is XAPHXOUYGTZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-14-19(11-20(32-14)15-4-3-5-16(10-15)23(24,25)26)21(30)28-22-27-17(13-33-22)12-29-8-6-18(31-2)7-9-29/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,27,28,30).
What are the key properties of N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 172559960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).