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

C16H9ClN2OS2 — CID 28868588

IUPAC2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H9ClN2OS2/c17-10-5-3-9(4-6-10)14-18-15(20)13-11(8-22-16(13)19-14)12-2-1-7-21-12/h1-8H,(H,18,19,20)
InChIKeyIJAVIUMFGJZEMI-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.03
Rot. Bonds2

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

2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868588) has the molecular formula C16H9ClN2OS2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868588
Molecular FormulaC16H9ClN2OS2
Molecular Weight344.85 g/mol
Exact Mass343.98
IUPAC Name2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H9ClN2OS2/c17-10-5-3-9(4-6-10)14-18-15(20)13-11(8-22-16(13)19-14)12-2-1-7-21-12/h1-8H,(H,18,19,20)
InChIKeyIJAVIUMFGJZEMI-UHFFFAOYSA-N
XLogP5.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868602
2-[(Z)-1-chloro-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 6218468
2-(4-chlorophenyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104612
2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
CID 7247141
[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 138857572
2-(2-bromoethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065049
5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889218
2-[(1S)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8585499
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-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 6217988
2-(2-methylpropylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7587993

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868588) is 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IJAVIUMFGJZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2OS2/c17-10-5-3-9(4-6-10)14-18-15(20)13-11(8-22-16(13)19-14)12-2-1-7-21-12/h1-8H,(H,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 344.85 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).