6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H19F2N3OS — CID 155946192

IUPAC6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(NCCc1c(C)nc2sccn2c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3OS/c1-3-16(14-5-4-12(19)10-15(14)20)21-7-6-13-11(2)22-18-23(17(13)24)8-9-25-18/h4-5,8-10,16,21H,3,6-7H2,1-2H3
InChIKeyORIHJLZDFFTEBO-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.63
Rot. Bonds6

About 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 155946192) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID155946192
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(NCCc1c(C)nc2sccn2c1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3OS/c1-3-16(14-5-4-12(19)10-15(14)20)21-7-6-13-11(2)22-18-23(17(13)24)8-9-25-18/h4-5,8-10,16,21H,3,6-7H2,1-2H3
InChIKeyORIHJLZDFFTEBO-UHFFFAOYSA-N
XLogP3.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 155946192) is 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC(NCCc1c(C)nc2sccn2c1=O)c1ccc(F)cc1F.
What is the InChIKey of 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ORIHJLZDFFTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c1-3-16(14-5-4-12(19)10-15(14)20)21-7-6-13-11(2)22-18-23(17(13)24)8-9-25-18/h4-5,8-10,16,21H,3,6-7H2,1-2H3.
What are the key properties of 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 363.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(2,4-difluorophenyl)propylamino]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 155946192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).