5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C17H10F3N3OS2 — CID 71890849

IUPAC5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C17H10F3N3OS2/c18-17(19,20)9-3-4-10(21-7-9)6-13-22-15(24)14-11(8-26-16(14)23-13)12-2-1-5-25-12/h1-5,7-8H,6H2,(H,22,23,24)
InChIKeyHJTIXQMLMQWVMT-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.72
Rot. Bonds3

About 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71890849) has the molecular formula C17H10F3N3OS2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71890849
Molecular FormulaC17H10F3N3OS2
Molecular Weight393.42 g/mol
Exact Mass393.02
IUPAC Name5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C17H10F3N3OS2/c18-17(19,20)9-3-4-10(21-7-9)6-13-22-15(24)14-11(8-26-16(14)23-13)12-2-1-5-25-12/h1-5,7-8H,6H2,(H,22,23,24)
InChIKeyHJTIXQMLMQWVMT-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 71890849) is 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HJTIXQMLMQWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS2/c18-17(19,20)9-3-4-10(21-7-9)6-13-22-15(24)14-11(8-26-16(14)23-13)12-2-1-5-25-12/h1-5,7-8H,6H2,(H,22,23,24).
What are the key properties of 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 393.42 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71890849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).