2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

C15H15N3O2S2 — CID 2388600

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCc3cccs3)c2c1C
InChIInChI=1S/C15H15N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)20-7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyPBAXNCPWKNIHNK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.06
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2388600) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2388600
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCc3cccs3)c2c1C
InChIInChI=1S/C15H15N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)20-7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyPBAXNCPWKNIHNK-UHFFFAOYSA-N
XLogP3.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 2388600) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is Cc1sc2ncnc(OCC(=O)NCc3cccs3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PBAXNCPWKNIHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)20-7-12(19)16-6-11-4-3-5-21-11/h3-5,8H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2388600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).