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

C15H13ClFN3OS — CID 58111450

IUPAC7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(C(C)N)c(-c3cc(F)cc(Cl)c3)c(=O)n12
InChIInChI=1S/C15H13ClFN3OS/c1-7-6-22-15-19-13(8(2)18)12(14(21)20(7)15)9-3-10(16)5-11(17)4-9/h3-6,8H,18H2,1-2H3
InChIKeyKTSVVRFETRGSHZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.54
Rot. Bonds2

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

7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 58111450) has the molecular formula C15H13ClFN3OS and a molecular weight of 337.81 g/mol. Its IUPAC name is 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID58111450
Molecular FormulaC15H13ClFN3OS
Molecular Weight337.81 g/mol
Exact Mass337.05
IUPAC Name7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(C(C)N)c(-c3cc(F)cc(Cl)c3)c(=O)n12
InChIInChI=1S/C15H13ClFN3OS/c1-7-6-22-15-19-13(8(2)18)12(14(21)20(7)15)9-3-10(16)5-11(17)4-9/h3-6,8H,18H2,1-2H3
InChIKeyKTSVVRFETRGSHZ-UHFFFAOYSA-N
XLogP3.54
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-aminoethyl)-6-(3,4-difluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111403
6-(3-chloro-5-fluorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996437
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
6-(3-fluorophenyl)-7-[(1S)-1-hydrazinylethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167431851
7-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;2,2,2-trifluoroacetic acid
CID 66855796
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-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 122691061
6-(3-chlorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996436
6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225126
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
ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
7-(1-bromoethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111437

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 58111450) is 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(C(C)N)c(-c3cc(F)cc(Cl)c3)c(=O)n12.
What is the InChIKey of 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KTSVVRFETRGSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3OS/c1-7-6-22-15-19-13(8(2)18)12(14(21)20(7)15)9-3-10(16)5-11(17)4-9/h3-6,8H,18H2,1-2H3.
What are the key properties of 7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1-aminoethyl)-6-(3-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.81 g/mol, XLogP of 3.54, 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-chloro-5-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 58111450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).