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

C12H8N2OS2 — CID 22674372

IUPAC(2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3
InChIKeyYXSSKMYRHDMREO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.29
Rot. Bonds2

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

(2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 22674372) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID22674372
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name(2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESCc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3
InChIKeyYXSSKMYRHDMREO-UHFFFAOYSA-N
XLogP3.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 22674372) is (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is Cc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is YXSSKMYRHDMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c1-7-13-8-4-6-17-12(8)10(14-7)11(15)9-3-2-5-16-9/h2-6H,1H3.
What are the key properties of (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 22674372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).