2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide

C14H19N3OS2 — CID 865962

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H19N3OS2/c1-5-17(6-2)11(18)7-19-13-12-9(3)10(4)20-14(12)16-8-15-13/h8H,5-7H2,1-4H3
InChIKeyMDRQTBXPLTZILM-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.27
Rot. Bonds5

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 865962) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
PubChem CID865962
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H19N3OS2/c1-5-17(6-2)11(18)7-19-13-12-9(3)10(4)20-14(12)16-8-15-13/h8H,5-7H2,1-4H3
InChIKeyMDRQTBXPLTZILM-UHFFFAOYSA-N
XLogP3.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
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)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (CID 865962) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is MDRQTBXPLTZILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-5-17(6-2)11(18)7-19-13-12-9(3)10(4)20-14(12)16-8-15-13/h8H,5-7H2,1-4H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 309.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 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)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 865962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).