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

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Related Compounds

2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
2-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868545
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159
N-(2-chlorophenyl)-2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 18197551
5-(furan-2-yl)-2-[1-(2-methylphenyl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60561787
2-(1-chloroethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084617
[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8784654
1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 9291984
3-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanenitrile
CID 39158911
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18138026
5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 52753634
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 18197556

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).