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

C15H14FN3OS — CID 122691061

IUPAC7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CCN)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C15H14FN3OS/c1-9-8-21-15-18-12(5-6-17)13(14(20)19(9)15)10-3-2-4-11(16)7-10/h2-4,7-8H,5-6,17H2,1H3
InChIKeyBRZZPAAFCREGPA-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.37
Rot. Bonds3

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

7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 122691061) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID122691061
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CCN)c(-c3cccc(F)c3)c(=O)n12
InChIInChI=1S/C15H14FN3OS/c1-9-8-21-15-18-12(5-6-17)13(14(20)19(9)15)10-3-2-4-11(16)7-10/h2-4,7-8H,5-6,17H2,1H3
InChIKeyBRZZPAAFCREGPA-UHFFFAOYSA-N
XLogP2.37
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluorophenyl)-7-[(1S)-1-hydrazinylethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167431851
tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
CID 150361459
7-(1-aminoethyl)-6-(3,4-difluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111403
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 175833836
7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111450
7-[1-[(6-ethyl-5,8-dihydro-1,8-naphthyridin-4-yl)amino]ethyl]-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 123604114
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide
CID 173078931
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
2-(2-aminoethyl)-7-fluoro-3-(3-fluorophenyl)quinolizin-4-one
CID 118627701
6-(3,5-difluorophenyl)-3-methyl-7-[(1S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 139538639

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 122691061) is 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CCN)c(-c3cccc(F)c3)c(=O)n12.
What is the InChIKey of 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BRZZPAAFCREGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-9-8-21-15-18-12(5-6-17)13(14(20)19(9)15)10-3-2-4-11(16)7-10/h2-4,7-8H,5-6,17H2,1H3.
What are the key properties of 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 303.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 122691061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).