N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C13H15N3OS2 — CID 9265700

IUPACN-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1cc2c(SCC(=O)NC3CC3)ncnc2s1
InChIInChI=1S/C13H15N3OS2/c1-2-9-5-10-12(14-7-15-13(10)19-9)18-6-11(17)16-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,16,17)
InChIKeyKTUADSRNYDHLQE-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 9265700) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID9265700
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1cc2c(SCC(=O)NC3CC3)ncnc2s1
InChIInChI=1S/C13H15N3OS2/c1-2-9-5-10-12(14-7-15-13(10)19-9)18-6-11(17)16-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,16,17)
InChIKeyKTUADSRNYDHLQE-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 9265700) is N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCc1cc2c(SCC(=O)NC3CC3)ncnc2s1.
What is the InChIKey of N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KTUADSRNYDHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-9-5-10-12(14-7-15-13(10)19-9)18-6-11(17)16-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 293.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 9265700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).