2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C16H9ClN2O2S — CID 28868535

IUPAC2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccco3)c12
InChIInChI=1S/C16H9ClN2O2S/c17-11-5-2-1-4-9(11)14-18-15(20)13-10(8-22-16(13)19-14)12-6-3-7-21-12/h1-8H,(H,18,19,20)
InChIKeyBSIOUZBSOBSKGF-UHFFFAOYSA-N
MW328.78 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868535) has the molecular formula C16H9ClN2O2S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868535
Molecular FormulaC16H9ClN2O2S
Molecular Weight328.78 g/mol
Exact Mass328.01
IUPAC Name2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccco3)c12
InChIInChI=1S/C16H9ClN2O2S/c17-11-5-2-1-4-9(11)14-18-15(20)13-10(8-22-16(13)19-14)12-6-3-7-21-12/h1-8H,(H,18,19,20)
InChIKeyBSIOUZBSOBSKGF-UHFFFAOYSA-N
XLogP4.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868535) is 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccco3)c12.
What is the InChIKey of 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BSIOUZBSOBSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2S/c17-11-5-2-1-4-9(11)14-18-15(20)13-10(8-22-16(13)19-14)12-6-3-7-21-12/h1-8H,(H,18,19,20).
What are the key properties of 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 328.78 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).