6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H15FN4O4S2 — CID 135478180

IUPAC6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2ccc(F)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H15FN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2
InChIKeyXXOQHLWYTJDYNB-UHFFFAOYSA-N
MW446.49 g/mol
LogP1.74
Rot. Bonds3

About 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135478180) has the molecular formula C19H15FN4O4S2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135478180
Molecular FormulaC19H15FN4O4S2
Molecular Weight446.49 g/mol
Exact Mass446.05
IUPAC Name6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2ccc(F)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H15FN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2
InChIKeyXXOQHLWYTJDYNB-UHFFFAOYSA-N
XLogP1.74
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135478180) is 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(C(c2ccc(F)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2.
What is the InChIKey of 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XXOQHLWYTJDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2.
What are the key properties of 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 446.49 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135478180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).