N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H24F3N3OS — CID 8539556

IUPACN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1
InChIInChI=1S/C20H24F3N3OS/c1-13-7-14(2)10-25(9-13)11-17-12-28-19(24-17)26(15(3)27)18-6-4-5-16(8-18)20(21,22)23/h4-6,8,12-14H,7,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyPJKPAOFCWZALTI-KBPBESRZSA-N
MW411.49 g/mol
LogP5.32
Rot. Bonds4

About N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 8539556) has the molecular formula C20H24F3N3OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID8539556
Molecular FormulaC20H24F3N3OS
Molecular Weight411.49 g/mol
Exact Mass411.16
IUPAC NameN-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1
InChIInChI=1S/C20H24F3N3OS/c1-13-7-14(2)10-25(9-13)11-17-12-28-19(24-17)26(15(3)27)18-6-4-5-16(8-18)20(21,22)23/h4-6,8,12-14H,7,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyPJKPAOFCWZALTI-KBPBESRZSA-N
XLogP5.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 8539556) is N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1.
What is the InChIKey of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PJKPAOFCWZALTI-KBPBESRZSA-N. The full InChI is InChI=1S/C20H24F3N3OS/c1-13-7-14(2)10-25(9-13)11-17-12-28-19(24-17)26(15(3)27)18-6-4-5-16(8-18)20(21,22)23/h4-6,8,12-14H,7,9-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8539556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).