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

C19H22F3N3OS — CID 134804929

IUPACN-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(C(F)(F)F)c3)s2)CC1
InChIInChI=1S/C19H22F3N3OS/c1-13(26)24-18(2)6-8-25(9-7-18)12-16-11-23-17(27-16)14-4-3-5-15(10-14)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,24,26)
InChIKeyJDYRHWYNVSQRLX-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.32
Rot. Bonds4

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

N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 134804929) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID134804929
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(C(F)(F)F)c3)s2)CC1
InChIInChI=1S/C19H22F3N3OS/c1-13(26)24-18(2)6-8-25(9-7-18)12-16-11-23-17(27-16)14-4-3-5-15(10-14)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,24,26)
InChIKeyJDYRHWYNVSQRLX-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (CID 134804929) is N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(C(F)(F)F)c3)s2)CC1.
What is the InChIKey of N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JDYRHWYNVSQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-13(26)24-18(2)6-8-25(9-7-18)12-16-11-23-17(27-16)14-4-3-5-15(10-14)19(20,21)22/h3-5,10-11H,6-9,12H2,1-2H3,(H,24,26).
What are the key properties of N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 397.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134804929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).