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

C15H11F3N4O3S — CID 53153185

IUPAC2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C15H11F3N4O3S/c1-21-13(24)12-10(7-26-20-12)22(14(21)25)6-11(23)19-9-5-3-2-4-8(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23)
InChIKeyCNXJHWUYDYIRCO-UHFFFAOYSA-N
MW384.34 g/mol
LogP1.81
Rot. Bonds3

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

2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 53153185) has the molecular formula C15H11F3N4O3S and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID53153185
Molecular FormulaC15H11F3N4O3S
Molecular Weight384.34 g/mol
Exact Mass384.05
IUPAC Name2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C15H11F3N4O3S/c1-21-13(24)12-10(7-26-20-12)22(14(21)25)6-11(23)19-9-5-3-2-4-8(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23)
InChIKeyCNXJHWUYDYIRCO-UHFFFAOYSA-N
XLogP1.81
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 53153185) is 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CNXJHWUYDYIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S/c1-21-13(24)12-10(7-26-20-12)22(14(21)25)6-11(23)19-9-5-3-2-4-8(9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23).
What are the key properties of 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 384.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53153185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).