2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H8F3N3OS2 — CID 34247379

IUPAC2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ncnc2ccsc12)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3OS2/c11-10(12,13)4-14-7(17)3-19-9-8-6(1-2-18-8)15-5-16-9/h1-2,5H,3-4H2,(H,14,17)
InChIKeyCEGOOBMNNCQULV-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.46
Rot. Bonds4

About 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 34247379) has the molecular formula C10H8F3N3OS2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID34247379
Molecular FormulaC10H8F3N3OS2
Molecular Weight307.32 g/mol
Exact Mass307.01
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ncnc2ccsc12)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3OS2/c11-10(12,13)4-14-7(17)3-19-9-8-6(1-2-18-8)15-5-16-9/h1-2,5H,3-4H2,(H,14,17)
InChIKeyCEGOOBMNNCQULV-UHFFFAOYSA-N
XLogP2.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 34247379) is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ncnc2ccsc12)NCC(F)(F)F.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CEGOOBMNNCQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS2/c11-10(12,13)4-14-7(17)3-19-9-8-6(1-2-18-8)15-5-16-9/h1-2,5H,3-4H2,(H,14,17).
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 34247379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).