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

C12H8N2O2S2 — CID 22674386

IUPAC(2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCOc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3
InChIKeyOWAGZTXCCQXVNH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.99
Rot. Bonds3

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

(2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 22674386) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID22674386
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name(2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCOc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3
InChIKeyOWAGZTXCCQXVNH-UHFFFAOYSA-N
XLogP2.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 22674386) is (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is COc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is OWAGZTXCCQXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-16-12-13-7-4-6-18-11(7)9(14-12)10(15)8-3-2-5-17-8/h2-6H,1H3.
What are the key properties of (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 22674386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).