2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H14F3N3O2S — CID 16868116

IUPAC2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)Nc1ccccc1C(F)(F)F)CS2
InChIInChI=1S/C16H14F3N3O2S/c1-9-7-20-15-22(14(9)24)10(8-25-15)6-13(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-5,7,10H,6,8H2,1H3,(H,21,23)
InChIKeyGJEJTPWNASWEBI-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.25
Rot. Bonds3

About 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16868116) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID16868116
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)Nc1ccccc1C(F)(F)F)CS2
InChIInChI=1S/C16H14F3N3O2S/c1-9-7-20-15-22(14(9)24)10(8-25-15)6-13(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-5,7,10H,6,8H2,1H3,(H,21,23)
InChIKeyGJEJTPWNASWEBI-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868102
N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478302
2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
CID 30545041
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
N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868121
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478334
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 97104676
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868854
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546173
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42478273
N-(2,5-dimethylphenyl)-2-(2-oxo-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl)acetamide
CID 16859212
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 136636770

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16868116) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cnc2n(c1=O)C(CC(=O)Nc1ccccc1C(F)(F)F)CS2.
What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GJEJTPWNASWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-9-7-20-15-22(14(9)24)10(8-25-15)6-13(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-5,7,10H,6,8H2,1H3,(H,21,23).
What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 369.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16868116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).