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

C21H26FN3OS — CID 129251407

IUPACN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1
InChIInChI=1S/C21H26FN3OS/c1-16(26)24(2)21-23-14-20(27-21)15-25-11-8-19(9-12-25)13-18-5-3-17(4-6-18)7-10-22/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyJAAOMUOWSXFXNG-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.32
Rot. Bonds6

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

N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 129251407) has the molecular formula C21H26FN3OS and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID129251407
Molecular FormulaC21H26FN3OS
Molecular Weight387.52 g/mol
Exact Mass387.18
IUPAC NameN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1
InChIInChI=1S/C21H26FN3OS/c1-16(26)24(2)21-23-14-20(27-21)15-25-11-8-19(9-12-25)13-18-5-3-17(4-6-18)7-10-22/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyJAAOMUOWSXFXNG-UHFFFAOYSA-N
XLogP4.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 129251407) is N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is JAAOMUOWSXFXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3OS/c1-16(26)24(2)21-23-14-20(27-21)15-25-11-8-19(9-12-25)13-18-5-3-17(4-6-18)7-10-22/h3-6,13-14H,7-12,15H2,1-2H3.
What are the key properties of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 387.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 129251407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).