2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

C10H8F3N3O2S — CID 135971247

IUPAC2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2S/c1-16(9(18)10(11,12)13)4-6-14-5-2-3-19-7(5)8(17)15-6/h2-3H,4H2,1H3,(H,14,15,17)
InChIKeyAEJAAEIKRBPICF-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.51
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 135971247) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID135971247
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2S/c1-16(9(18)10(11,12)13)4-6-14-5-2-3-19-7(5)8(17)15-6/h2-3H,4H2,1H3,(H,14,15,17)
InChIKeyAEJAAEIKRBPICF-UHFFFAOYSA-N
XLogP1.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (CID 135971247) is 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is AEJAAEIKRBPICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-16(9(18)10(11,12)13)4-6-14-5-2-3-19-7(5)8(17)15-6/h2-3H,4H2,1H3,(H,14,15,17).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 291.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 135971247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).