2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H15N3O2S3 — CID 644587

IUPAC2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1sc2nc(SCC(=O)NCc3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H15N3O2S3/c1-8-9(2)23-14-12(8)13(20)17-15(18-14)22-7-11(19)16-6-10-4-3-5-21-10/h3-5H,6-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyYAKLAYOXTRFHDB-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.07
Rot. Bonds5

About 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 644587) has the molecular formula C15H15N3O2S3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID644587
Molecular FormulaC15H15N3O2S3
Molecular Weight365.51 g/mol
Exact Mass365.03
IUPAC Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1sc2nc(SCC(=O)NCc3cccs3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H15N3O2S3/c1-8-9(2)23-14-12(8)13(20)17-15(18-14)22-7-11(19)16-6-10-4-3-5-21-10/h3-5H,6-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyYAKLAYOXTRFHDB-UHFFFAOYSA-N
XLogP3.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 644587) is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1sc2nc(SCC(=O)NCc3cccs3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YAKLAYOXTRFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S3/c1-8-9(2)23-14-12(8)13(20)17-15(18-14)22-7-11(19)16-6-10-4-3-5-21-10/h3-5H,6-7H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 365.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 644587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).