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

C15H19N3O2S2 — CID 3146230

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyGYWTWJMLENCDOF-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.70
Rot. Bonds5

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3146230) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3146230
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyGYWTWJMLENCDOF-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.70
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)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3146230) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1sc2ncnc(SCC(=O)NCC3CCCO3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GYWTWJMLENCDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.70, 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)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3146230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).