2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C17H14N4O2S4 — CID 71802557

IUPAC2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)Nc1nccs1
InChIInChI=1S/C17H14N4O2S4/c22-13(20-16-18-5-9-26-16)10-27-17-19-12-4-8-25-14(12)15(23)21(17)6-3-11-2-1-7-24-11/h1-2,4-5,7-9H,3,6,10H2,(H,18,20,22)
InChIKeyRQLIJGGRAWDFBM-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71802557) has the molecular formula C17H14N4O2S4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71802557
Molecular FormulaC17H14N4O2S4
Molecular Weight434.59 g/mol
Exact Mass434.00
IUPAC Name2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)Nc1nccs1
InChIInChI=1S/C17H14N4O2S4/c22-13(20-16-18-5-9-26-16)10-27-17-19-12-4-8-25-14(12)15(23)21(17)6-3-11-2-1-7-24-11/h1-2,4-5,7-9H,3,6,10H2,(H,18,20,22)
InChIKeyRQLIJGGRAWDFBM-UHFFFAOYSA-N
XLogP3.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 71802557) is 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccsc2c(=O)n1CCc1cccs1)Nc1nccs1.
What is the InChIKey of 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RQLIJGGRAWDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S4/c22-13(20-16-18-5-9-26-16)10-27-17-19-12-4-8-25-14(12)15(23)21(17)6-3-11-2-1-7-24-11/h1-2,4-5,7-9H,3,6,10H2,(H,18,20,22).
What are the key properties of 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 434.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71802557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).