2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C15H11F3N4OS — CID 2495922

IUPAC2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncnc2sccc12
InChIInChI=1S/C15H11F3N4OS/c1-22(14-8-4-5-24-15(8)20-7-19-14)6-11(23)21-10-3-2-9(16)12(17)13(10)18/h2-5,7H,6H2,1H3,(H,21,23)
InChIKeyRSJWUYLERTWXEP-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.18
Rot. Bonds4

About 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2495922) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2495922
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncnc2sccc12
InChIInChI=1S/C15H11F3N4OS/c1-22(14-8-4-5-24-15(8)20-7-19-14)6-11(23)21-10-3-2-9(16)12(17)13(10)18/h2-5,7H,6H2,1H3,(H,21,23)
InChIKeyRSJWUYLERTWXEP-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2495922) is 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncnc2sccc12.
What is the InChIKey of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RSJWUYLERTWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-22(14-8-4-5-24-15(8)20-7-19-14)6-11(23)21-10-3-2-9(16)12(17)13(10)18/h2-5,7H,6H2,1H3,(H,21,23).
What are the key properties of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 352.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2495922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).