N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide

C13H11N3O2S2 — CID 110493445

IUPACN-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C13H11N3O2S2/c17-11(5-8-2-1-3-19-8)14-6-9-4-10-12(18)15-7-16-13(10)20-9/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18)
InChIKeyWLLKSTSZYKISPW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.90
Rot. Bonds4

About N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide

N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110493445) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110493445
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C13H11N3O2S2/c17-11(5-8-2-1-3-19-8)14-6-9-4-10-12(18)15-7-16-13(10)20-9/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18)
InChIKeyWLLKSTSZYKISPW-UHFFFAOYSA-N
XLogP1.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide (CID 110493445) is N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cc2c(=O)[nH]cnc2s1.
What is the InChIKey of N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is WLLKSTSZYKISPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c17-11(5-8-2-1-3-19-8)14-6-9-4-10-12(18)15-7-16-13(10)20-9/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18).
What are the key properties of N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110493445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).