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

C19H22F3N3OS — CID 129016645

IUPACN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C19H22F3N3OS/c1-12-6-3-4-9-25(12)11-16-17(24-18(27-16)23-13(2)26)14-7-5-8-15(10-14)19(20,21)22/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,23,24,26)/t12-/m1/s1
InChIKeyLLJLVRRHFZGKKY-GFCCVEGCSA-N
MW397.47 g/mol
LogP5.16
Rot. Bonds4

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

N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129016645) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129016645
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C19H22F3N3OS/c1-12-6-3-4-9-25(12)11-16-17(24-18(27-16)23-13(2)26)14-7-5-8-15(10-14)19(20,21)22/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,23,24,26)/t12-/m1/s1
InChIKeyLLJLVRRHFZGKKY-GFCCVEGCSA-N
XLogP5.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 129016645) is N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1.
What is the InChIKey of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LLJLVRRHFZGKKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-12-6-3-4-9-25(12)11-16-17(24-18(27-16)23-13(2)26)14-7-5-8-15(10-14)19(20,21)22/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,23,24,26)/t12-/m1/s1.
What are the key properties of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 397.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129016645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).