4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C17H16F2N4O3S — CID 66780076

IUPAC4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCOc1c(F)ccc(Cn2cnc(=O)c3sc(N4CCOCC4)nc32)c1F
InChIInChI=1S/C17H16F2N4O3S/c1-25-13-11(18)3-2-10(12(13)19)8-23-9-20-16(24)14-15(23)21-17(27-14)22-4-6-26-7-5-22/h2-3,9H,4-8H2,1H3
InChIKeyRMNVTOKAYGJGAK-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.02
Rot. Bonds4

About 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780076) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780076
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC Name4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCOc1c(F)ccc(Cn2cnc(=O)c3sc(N4CCOCC4)nc32)c1F
InChIInChI=1S/C17H16F2N4O3S/c1-25-13-11(18)3-2-10(12(13)19)8-23-9-20-16(24)14-15(23)21-17(27-14)22-4-6-26-7-5-22/h2-3,9H,4-8H2,1H3
InChIKeyRMNVTOKAYGJGAK-UHFFFAOYSA-N
XLogP2.02
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780076) is 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is COc1c(F)ccc(Cn2cnc(=O)c3sc(N4CCOCC4)nc32)c1F.
What is the InChIKey of 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is RMNVTOKAYGJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-25-13-11(18)3-2-10(12(13)19)8-23-9-20-16(24)14-15(23)21-17(27-14)22-4-6-26-7-5-22/h2-3,9H,4-8H2,1H3.
What are the key properties of 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 394.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).