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

C20H24F3N3OS — CID 130225590

IUPACN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C20H24F3N3OS/c1-12-8-15(10-16(9-12)20(21,22)23)18-17(28-19(25-18)24-14(3)27)11-26-7-5-4-6-13(26)2/h8-10,13H,4-7,11H2,1-3H3,(H,24,25,27)/t13-/m1/s1
InChIKeyQWRRVKAJBZVKOQ-CYBMUJFWSA-N
MW411.49 g/mol
LogP5.47
Rot. Bonds4

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

N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 130225590) has the molecular formula C20H24F3N3OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID130225590
Molecular FormulaC20H24F3N3OS
Molecular Weight411.49 g/mol
Exact Mass411.16
IUPAC NameN-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C20H24F3N3OS/c1-12-8-15(10-16(9-12)20(21,22)23)18-17(28-19(25-18)24-14(3)27)11-26-7-5-4-6-13(26)2/h8-10,13H,4-7,11H2,1-3H3,(H,24,25,27)/t13-/m1/s1
InChIKeyQWRRVKAJBZVKOQ-CYBMUJFWSA-N
XLogP5.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.47
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-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 130225590) is N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(C)cc(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-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QWRRVKAJBZVKOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24F3N3OS/c1-12-8-15(10-16(9-12)20(21,22)23)18-17(28-19(25-18)24-14(3)27)11-26-7-5-4-6-13(26)2/h8-10,13H,4-7,11H2,1-3H3,(H,24,25,27)/t13-/m1/s1.
What are the key properties of N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 411.49 g/mol, XLogP of 5.47, 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-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 130225590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).