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

C15H21FN4OS — CID 126822473

IUPAC7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CCCF)CC3)cc(=O)n12
InChIInChI=1S/C15H21FN4OS/c1-12-11-22-15-17-13(9-14(21)20(12)15)10-19-7-5-18(6-8-19)4-2-3-16/h9,11H,2-8,10H2,1H3
InChIKeyWDNRMYZSDCVNGC-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.54
Rot. Bonds5

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

7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126822473) has the molecular formula C15H21FN4OS and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126822473
Molecular FormulaC15H21FN4OS
Molecular Weight324.43 g/mol
Exact Mass324.14
IUPAC Name7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCN(CCCF)CC3)cc(=O)n12
InChIInChI=1S/C15H21FN4OS/c1-12-11-22-15-17-13(9-14(21)20(12)15)10-19-7-5-18(6-8-19)4-2-3-16/h9,11H,2-8,10H2,1H3
InChIKeyWDNRMYZSDCVNGC-UHFFFAOYSA-N
XLogP1.54
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126822473) is 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCN(CCCF)CC3)cc(=O)n12.
What is the InChIKey of 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WDNRMYZSDCVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4OS/c1-12-11-22-15-17-13(9-14(21)20(12)15)10-19-7-5-18(6-8-19)4-2-3-16/h9,11H,2-8,10H2,1H3.
What are the key properties of 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 324.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).