2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C10H11N3OS2 — CID 709440

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(N)=O)c2c1C
InChIInChI=1S/C10H11N3OS2/c1-5-6(2)16-10-8(5)9(12-4-13-10)15-3-7(11)14/h4H,3H2,1-2H3,(H2,11,14)
InChIKeyJTVCTWHVKVPHOZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.89
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 709440) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID709440
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(N)=O)c2c1C
InChIInChI=1S/C10H11N3OS2/c1-5-6(2)16-10-8(5)9(12-4-13-10)15-3-7(11)14/h4H,3H2,1-2H3,(H2,11,14)
InChIKeyJTVCTWHVKVPHOZ-UHFFFAOYSA-N
XLogP1.89
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 709440) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1sc2ncnc(SCC(N)=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is JTVCTWHVKVPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-5-6(2)16-10-8(5)9(12-4-13-10)15-3-7(11)14/h4H,3H2,1-2H3,(H2,11,14).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 253.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 709440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).