1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine

C15H16FN3S — CID 141286819

IUPAC1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC1=CSC2=NC(C(C)N)=C(c3ccccc3F)CN12
InChIInChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)12(7-19(9)15)11-5-3-4-6-13(11)16/h3-6,8,10H,7,17H2,1-2H3
InChIKeyUBXDZGWNYJQGSW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds2

About 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine

1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (PubChem CID 141286819) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
PubChem CID141286819
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC1=CSC2=NC(C(C)N)=C(c3ccccc3F)CN12
InChIInChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)12(7-19(9)15)11-5-3-4-6-13(11)16/h3-6,8,10H,7,17H2,1-2H3
InChIKeyUBXDZGWNYJQGSW-UHFFFAOYSA-N
XLogP3.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The IUPAC name of 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (CID 141286819) is 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.
What is the SMILES notation for 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The canonical SMILES for 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is CC1=CSC2=NC(C(C)N)=C(c3ccccc3F)CN12.
What is the InChIKey of 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The InChIKey is UBXDZGWNYJQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)12(7-19(9)15)11-5-3-4-6-13(11)16/h3-6,8,10H,7,17H2,1-2H3.
What are the key properties of 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is sourced from PubChem (CID 141286819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).