2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one

C25H23FN4O2S2 — CID 27374423

IUPAC2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(-c3ccccc3)csc2c1=O
InChIInChI=1S/C25H23FN4O2S2/c1-28-24(32)23-22(20(15-33-23)17-5-3-2-4-6-17)27-25(28)34-16-21(31)30-13-11-29(12-14-30)19-9-7-18(26)8-10-19/h2-10,15H,11-14,16H2,1H3
InChIKeyVIVWPEYEKCYRMG-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.24
Rot. Bonds5

About 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one

2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 27374423) has the molecular formula C25H23FN4O2S2 and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID27374423
Molecular FormulaC25H23FN4O2S2
Molecular Weight494.62 g/mol
Exact Mass494.12
IUPAC Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(-c3ccccc3)csc2c1=O
InChIInChI=1S/C25H23FN4O2S2/c1-28-24(32)23-22(20(15-33-23)17-5-3-2-4-6-17)27-25(28)34-16-21(31)30-13-11-29(12-14-30)19-9-7-18(26)8-10-19/h2-10,15H,11-14,16H2,1H3
InChIKeyVIVWPEYEKCYRMG-UHFFFAOYSA-N
XLogP4.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374385
N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374445
7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 45498996
5-(4-fluorophenyl)-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 1139851
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylthieno[3,2-d]pyrimidin-4-one
CID 46921567
3-ethyl-7-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 27375562
3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 33342433
N-(2,5-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45499348
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110412266
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2996183
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 18569104

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 27374423) is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one is Cn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2c(-c3ccccc3)csc2c1=O.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VIVWPEYEKCYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S2/c1-28-24(32)23-22(20(15-33-23)17-5-3-2-4-6-17)27-25(28)34-16-21(31)30-13-11-29(12-14-30)19-9-7-18(26)8-10-19/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 494.62 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 27374423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).