7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H11F2N3OS — CID 58111405

IUPAC7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(N)c1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2N3OS/c1-7(17)12-11(8-4-9(15)6-10(16)5-8)13(20)19-2-3-21-14(19)18-12/h2-7H,17H2,1H3
InChIKeyNUHJPJXFFNAZTB-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.72
Rot. Bonds2

About 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 58111405) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID58111405
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(N)c1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2N3OS/c1-7(17)12-11(8-4-9(15)6-10(16)5-8)13(20)19-2-3-21-14(19)18-12/h2-7H,17H2,1H3
InChIKeyNUHJPJXFFNAZTB-UHFFFAOYSA-N
XLogP2.72
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 58111405) is 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(N)c1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NUHJPJXFFNAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-7(17)12-11(8-4-9(15)6-10(16)5-8)13(20)19-2-3-21-14(19)18-12/h2-7H,17H2,1H3.
What are the key properties of 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethyl)-6-(3,5-difluorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 58111405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).