7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19FN4O2S — CID 46571494

IUPAC7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n12
InChIInChI=1S/C19H19FN4O2S/c1-13-12-27-19-21-16(10-17(25)24(13)19)11-22-6-8-23(9-7-22)18(26)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCSBDUBXMILCYGV-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.16
Rot. Bonds3

About 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46571494) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46571494
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n12
InChIInChI=1S/C19H19FN4O2S/c1-13-12-27-19-21-16(10-17(25)24(13)19)11-22-6-8-23(9-7-22)18(26)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCSBDUBXMILCYGV-UHFFFAOYSA-N
XLogP2.16
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46571494) is 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n12.
What is the InChIKey of 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CSBDUBXMILCYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-13-12-27-19-21-16(10-17(25)24(13)19)11-22-6-8-23(9-7-22)18(26)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 386.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46571494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).