2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H18F3N3O2S — CID 51530516

IUPAC2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c1-10(2)14-8-16(26)24-11(9-27-17(24)23-14)7-15(25)22-13-6-4-3-5-12(13)18(19,20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyZFZZODLYBCXMIA-NSHDSACASA-N
MW397.42 g/mol
LogP4.06
Rot. Bonds4

About 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 51530516) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID51530516
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c1-10(2)14-8-16(26)24-11(9-27-17(24)23-14)7-15(25)22-13-6-4-3-5-12(13)18(19,20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyZFZZODLYBCXMIA-NSHDSACASA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-pyridin-3-ylacetamide
CID 16868734
N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530524
N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065639
N-(5-chloro-2-methoxyphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868728
methyl 4-[[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzoate
CID 16868693
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16868116
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
CID 16868857
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868854
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478257
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16868630
N-(2,5-dimethylphenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868331
2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 42478215

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 51530516) is 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZFZZODLYBCXMIA-NSHDSACASA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-10(2)14-8-16(26)24-11(9-27-17(24)23-14)7-15(25)22-13-6-4-3-5-12(13)18(19,20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,22,25)/t11-/m0/s1.
What are the key properties of 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51530516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).