2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H8F3N3O2S — CID 39980338

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)4-14-7(17)3-16-5-15-6-1-2-19-8(6)9(16)18/h1-2,5H,3-4H2,(H,14,17)
InChIKeyVZYVVLBJEHVDLK-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.14
Rot. Bonds3

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 39980338) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID39980338
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)4-14-7(17)3-16-5-15-6-1-2-19-8(6)9(16)18/h1-2,5H,3-4H2,(H,14,17)
InChIKeyVZYVVLBJEHVDLK-UHFFFAOYSA-N
XLogP1.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 39980338) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnc2ccsc2c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VZYVVLBJEHVDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)4-14-7(17)3-16-5-15-6-1-2-19-8(6)9(16)18/h1-2,5H,3-4H2,(H,14,17).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 291.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 39980338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).