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

C11H10F3N3O2S — CID 51311421

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)5-15-8(18)1-3-17-6-16-9-7(10(17)19)2-4-20-9/h2,4,6H,1,3,5H2,(H,15,18)
InChIKeyGLKMBLKWGDLEQX-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.53
Rot. Bonds4

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

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 51311421) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID51311421
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)5-15-8(18)1-3-17-6-16-9-7(10(17)19)2-4-20-9/h2,4,6H,1,3,5H2,(H,15,18)
InChIKeyGLKMBLKWGDLEQX-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 51311421) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCn1cnc2sccc2c1=O)NCC(F)(F)F.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GLKMBLKWGDLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)5-15-8(18)1-3-17-6-16-9-7(10(17)19)2-4-20-9/h2,4,6H,1,3,5H2,(H,15,18).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 305.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 51311421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).