(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

C13H10N2OS2 — CID 22674365

IUPAC(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCCc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3
InChIKeyHLISWGJXLDUSNL-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.55
Rot. Bonds3

About (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone

(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 22674365) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID22674365
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCCc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3
InChIKeyHLISWGJXLDUSNL-UHFFFAOYSA-N
XLogP3.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 22674365) is (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is CCc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is HLISWGJXLDUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-2-10-14-8-5-7-18-13(8)11(15-10)12(16)9-4-3-6-17-9/h3-7H,2H2,1H3.
What are the key properties of (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 22674365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).