thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

C12H5F3N2OS2 — CID 22674393

IUPACthiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccsc1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H
InChIKeyDTUSGNXGARIEET-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.00
Rot. Bonds2

About thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 22674393) has the molecular formula C12H5F3N2OS2 and a molecular weight of 314.31 g/mol. Its IUPAC name is thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID22674393
Molecular FormulaC12H5F3N2OS2
Molecular Weight314.31 g/mol
Exact Mass313.98
IUPAC Namethiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccsc1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H
InChIKeyDTUSGNXGARIEET-UHFFFAOYSA-N
XLogP4.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 22674393) is thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1ccsc1)c1nc(C(F)(F)F)nc2ccsc12.
What is the InChIKey of thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is DTUSGNXGARIEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2OS2/c13-12(14,15)11-16-7-2-4-20-10(7)8(17-11)9(18)6-1-3-19-5-6/h1-5H.
What are the key properties of thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 314.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 22674393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).