2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide

C18H14N4O2S3 — CID 24818216

IUPAC2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1)Nc1ccccn1
InChIInChI=1S/C18H14N4O2S3/c23-15(20-13-5-1-2-6-19-13)10-25-9-14-21-17(24)16-11(8-27-18(16)22-14)12-4-3-7-26-12/h1-8H,9-10H2,(H,19,20,23)(H,21,22,24)
InChIKeyMEVMKPVCHUASJV-UHFFFAOYSA-N
MW414.54 g/mol
LogP3.98
Rot. Bonds6

About 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide

2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 24818216) has the molecular formula C18H14N4O2S3 and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide
PubChem CID24818216
Molecular FormulaC18H14N4O2S3
Molecular Weight414.54 g/mol
Exact Mass414.03
IUPAC Name2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1)Nc1ccccn1
InChIInChI=1S/C18H14N4O2S3/c23-15(20-13-5-1-2-6-19-13)10-25-9-14-21-17(24)16-11(8-27-18(16)22-14)12-4-3-7-26-12/h1-8H,9-10H2,(H,19,20,23)(H,21,22,24)
InChIKeyMEVMKPVCHUASJV-UHFFFAOYSA-N
XLogP3.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide (CID 24818216) is 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide is O=C(CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1)Nc1ccccn1.
What is the InChIKey of 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is MEVMKPVCHUASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S3/c23-15(20-13-5-1-2-6-19-13)10-25-9-14-21-17(24)16-11(8-27-18(16)22-14)12-4-3-7-26-12/h1-8H,9-10H2,(H,19,20,23)(H,21,22,24).
What are the key properties of 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide?
2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 414.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 24818216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).