2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C15H12F3N3OS3 — CID 2566746

IUPAC2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(SCC(=O)NCC(F)(F)F)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C15H12F3N3OS3/c1-8-20-13-12(9(5-24-13)10-3-2-4-23-10)14(21-8)25-6-11(22)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H,19,22)
InChIKeyLKNKWHQEFLQGTO-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2566746) has the molecular formula C15H12F3N3OS3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2566746
Molecular FormulaC15H12F3N3OS3
Molecular Weight403.48 g/mol
Exact Mass403.01
IUPAC Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(SCC(=O)NCC(F)(F)F)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C15H12F3N3OS3/c1-8-20-13-12(9(5-24-13)10-3-2-4-23-10)14(21-8)25-6-11(22)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H,19,22)
InChIKeyLKNKWHQEFLQGTO-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 2461526
1-(2-Methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 2464730
N-Cyclopropyl-2-(2-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3218956
N-cyclopentyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16316041
N-(2-(thiophen-2-yl)ethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
CID 727593
N-tert-butyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2444212
4-ethyl-3-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 2559955
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873
N-Benzhydryl-2-(7-methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl sulfanyl)-acetamide
CID 2015981
5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine
CID 2062923
4-(2-Thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 2311761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 2566746) is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(SCC(=O)NCC(F)(F)F)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LKNKWHQEFLQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS3/c1-8-20-13-12(9(5-24-13)10-3-2-4-23-10)14(21-8)25-6-11(22)19-7-15(16,17)18/h2-5H,6-7H2,1H3,(H,19,22).
What are the key properties of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2566746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).