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

C15H16FN3S — CID 141286820

IUPAC(1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC1=CSC2=NC([C@H](C)N)=C(c3cccc(F)c3)CN12
InChIInChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)13(7-19(9)15)11-4-3-5-12(16)6-11/h3-6,8,10H,7,17H2,1-2H3/t10-/m0/s1
InChIKeyDKUDJLDSDQIDCI-JTQLQIEISA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds2

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

(1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (PubChem CID 141286820) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
PubChem CID141286820
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name(1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
SMILESCC1=CSC2=NC([C@H](C)N)=C(c3cccc(F)c3)CN12
InChIInChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)13(7-19(9)15)11-4-3-5-12(16)6-11/h3-6,8,10H,7,17H2,1-2H3/t10-/m0/s1
InChIKeyDKUDJLDSDQIDCI-JTQLQIEISA-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

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Related Compounds

(13E)-13-benzylidene-6-(4-fluorophenyl)-8-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333301
3-(4-Fluorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 699646
3-Isopropyl-2-isopropylamino-4-phenylthiazolium chloride
CID 203301
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
(4S)-N-[2-(3-fluorophenyl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136294794
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
2-[(2-fluorophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 42885745
3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571249

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The IUPAC name of (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine (CID 141286820) is (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The canonical SMILES for (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is CC1=CSC2=NC([C@H](C)N)=C(c3cccc(F)c3)CN12.
What is the InChIKey of (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
The InChIKey is DKUDJLDSDQIDCI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3S/c1-9-8-20-15-18-14(10(2)17)13(7-19(9)15)11-4-3-5-12(16)6-11/h3-6,8,10H,7,17H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine?
(1S)-1-[6-(3-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 (1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine is sourced from PubChem (CID 141286820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).