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

C18H18F3N3O2S — CID 78869515

IUPAC2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCCCC1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-4-12(5-7-13)9-14-10-22-17(27-14)23-15(25)11-24-8-2-1-3-16(24)26/h4-7,10H,1-3,8-9,11H2,(H,22,23,25)
InChIKeyPOFMJHIYGLQXFH-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.70
Rot. Bonds5

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

2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78869515) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78869515
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCCCC1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-4-12(5-7-13)9-14-10-22-17(27-14)23-15(25)11-24-8-2-1-3-16(24)26/h4-7,10H,1-3,8-9,11H2,(H,22,23,25)
InChIKeyPOFMJHIYGLQXFH-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78845321
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 33293472
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18130137
(2R)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 99813925
4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 78843674
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78843673

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 78869515) is 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(CN1CCCCC1=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is POFMJHIYGLQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-4-12(5-7-13)9-14-10-22-17(27-14)23-15(25)11-24-8-2-1-3-16(24)26/h4-7,10H,1-3,8-9,11H2,(H,22,23,25).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78869515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).