2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide

C15H10F3N3OS2 — CID 3828425

IUPAC2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCc1csc2c(Sc3ccccc3NC(=O)C(F)(F)F)ncnc12
InChIInChI=1S/C15H10F3N3OS2/c1-8-6-23-12-11(8)19-7-20-13(12)24-10-5-3-2-4-9(10)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22)
InChIKeyXJLODMZNBQQQPE-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.65
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide

2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide (PubChem CID 3828425) has the molecular formula C15H10F3N3OS2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
PubChem CID3828425
Molecular FormulaC15H10F3N3OS2
Molecular Weight369.39 g/mol
Exact Mass369.02
IUPAC Name2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
SMILESCc1csc2c(Sc3ccccc3NC(=O)C(F)(F)F)ncnc12
InChIInChI=1S/C15H10F3N3OS2/c1-8-6-23-12-11(8)19-7-20-13(12)24-10-5-3-2-4-9(10)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22)
InChIKeyXJLODMZNBQQQPE-UHFFFAOYSA-N
XLogP4.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide (CID 3828425) is 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide is Cc1csc2c(Sc3ccccc3NC(=O)C(F)(F)F)ncnc12.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide?
The InChIKey is XJLODMZNBQQQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS2/c1-8-6-23-12-11(8)19-7-20-13(12)24-10-5-3-2-4-9(10)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide?
2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 3828425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).