N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H20F3N3O2S — CID 137361250

IUPACN-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(OC(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C19H20F3N3O2S/c1-13(26)24-18-23-11-17(28-18)12-25-8-6-15(7-9-25)10-14-2-4-16(5-3-14)27-19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,24,26)
InChIKeyRMEJWHMUYRYFSS-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.68
Rot. Bonds5

About N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137361250) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137361250
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(OC(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C19H20F3N3O2S/c1-13(26)24-18-23-11-17(28-18)12-25-8-6-15(7-9-25)10-14-2-4-16(5-3-14)27-19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,24,26)
InChIKeyRMEJWHMUYRYFSS-UHFFFAOYSA-N
XLogP4.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137361250) is N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(OC(F)(F)F)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RMEJWHMUYRYFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-13(26)24-18-23-11-17(28-18)12-25-8-6-15(7-9-25)10-14-2-4-16(5-3-14)27-19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,24,26).
What are the key properties of N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 411.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137361250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).