2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H7F3N6O2S — CID 49382725

IUPAC2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6O2S/c12-11(13,14)9-17-10(19-18-9)16-6(21)3-20-4-15-7-5(8(20)22)1-2-23-7/h1-2,4H,3H2,(H2,16,17,18,19,21)
InChIKeyGGXBLVONPPLTLN-UHFFFAOYSA-N
MW344.28 g/mol
LogP1.23
Rot. Bonds3

About 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 49382725) has the molecular formula C11H7F3N6O2S and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID49382725
Molecular FormulaC11H7F3N6O2S
Molecular Weight344.28 g/mol
Exact Mass344.03
IUPAC Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6O2S/c12-11(13,14)9-17-10(19-18-9)16-6(21)3-20-4-15-7-5(8(20)22)1-2-23-7/h1-2,4H,3H2,(H2,16,17,18,19,21)
InChIKeyGGXBLVONPPLTLN-UHFFFAOYSA-N
XLogP1.23
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-hydroxy-1H-indazol-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 154798795
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17425297
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 9001845
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 38016174
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(R)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
CID 33364380
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 49382725) is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GGXBLVONPPLTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6O2S/c12-11(13,14)9-17-10(19-18-9)16-6(21)3-20-4-15-7-5(8(20)22)1-2-23-7/h1-2,4H,3H2,(H2,16,17,18,19,21).
What are the key properties of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 344.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 49382725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).