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

C14H13F2N3S — CID 141286841

IUPAC1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC(N)C1=C(c2cc(F)cc(F)c2)CN2C=CSC2=N1
InChIInChI=1S/C14H13F2N3S/c1-8(17)13-12(7-19-2-3-20-14(19)18-13)9-4-10(15)6-11(16)5-9/h2-6,8H,7,17H2,1H3
InChIKeyFSVRGMXVSDHCGS-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.91
Rot. Bonds2

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

1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (PubChem CID 141286841) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
PubChem CID141286841
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC Name1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC(N)C1=C(c2cc(F)cc(F)c2)CN2C=CSC2=N1
InChIInChI=1S/C14H13F2N3S/c1-8(17)13-12(7-19-2-3-20-14(19)18-13)9-4-10(15)6-11(16)5-9/h2-6,8H,7,17H2,1H3
InChIKeyFSVRGMXVSDHCGS-UHFFFAOYSA-N
XLogP2.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-fluorophenyl)ethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068098
N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 29068158
5-(4-Fluorophenyl)-2,3-dihydro-5h-thiazolo[3,2-a]-pyrimidine
CID 129708334
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
CID 45108800
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 2800014
7-(1-aminoethyl)-6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111405
7-(2-Fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 70546444
2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 70831741
6-(2,4-Difluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 71097602
6-[1-(2,6-Difluorophenyl)ethyl]-2-methylsulfanyl-1,4-dihydropyrimidine
CID 141017421
1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
CID 141286819

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The IUPAC name of 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (CID 141286841) is 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.
What is the SMILES notation for 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The canonical SMILES for 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is CC(N)C1=C(c2cc(F)cc(F)c2)CN2C=CSC2=N1.
What is the InChIKey of 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The InChIKey is FSVRGMXVSDHCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c1-8(17)13-12(7-19-2-3-20-14(19)18-13)9-4-10(15)6-11(16)5-9/h2-6,8H,7,17H2,1H3.
What are the key properties of 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine has a molecular weight of 293.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is sourced from PubChem (CID 141286841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).