2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C19H18F3N5O2S — CID 51369148

IUPAC2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5O2S/c20-19(21,22)12-5-4-6-13(9-12)24-14(28)10-27-11-23-16-15(17(27)29)30-18(25-16)26-7-2-1-3-8-26/h4-6,9,11H,1-3,7-8,10H2,(H,24,28)
InChIKeyLFVLRNVJCCTZFS-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.50
Rot. Bonds4

About 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 51369148) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID51369148
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N5O2S/c20-19(21,22)12-5-4-6-13(9-12)24-14(28)10-27-11-23-16-15(17(27)29)30-18(25-16)26-7-2-1-3-8-26/h4-6,9,11H,1-3,7-8,10H2,(H,24,28)
InChIKeyLFVLRNVJCCTZFS-UHFFFAOYSA-N
XLogP3.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785150
N-(3-fluorophenyl)-2-(7-oxo-2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784906
N-(3,5-dimethylphenyl)-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784944
N-(4-acetylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369169
N-(2-chlorophenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785149
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50784828
N-(3-chlorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784939
(3S)-N-cyclopropyl-1-[6-[2-(3-fluoroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92883908
N-(3-acetylphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50926914
N-(3-methylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182058
N-(2-fluoro-4-methylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369199

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 51369148) is 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LFVLRNVJCCTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c20-19(21,22)12-5-4-6-13(9-12)24-14(28)10-27-11-23-16-15(17(27)29)30-18(25-16)26-7-2-1-3-8-26/h4-6,9,11H,1-3,7-8,10H2,(H,24,28).
What are the key properties of 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 437.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).