7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C22H17FN2O3S — CID 18919194

IUPAC7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2scc(C)n2c1=O
InChIInChI=1S/C22H17FN2O3S/c1-13-12-29-22-24-20(14(2)21(27)25(13)22)28-11-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10,12H,11H2,1-2H3
InChIKeyRJICQUOCABBQIX-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.32
Rot. Bonds5

About 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18919194) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID18919194
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2scc(C)n2c1=O
InChIInChI=1S/C22H17FN2O3S/c1-13-12-29-22-24-20(14(2)21(27)25(13)22)28-11-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10,12H,11H2,1-2H3
InChIKeyRJICQUOCABBQIX-UHFFFAOYSA-N
XLogP4.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 18919194) is 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2scc(C)n2c1=O.
What is the InChIKey of 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RJICQUOCABBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-13-12-29-22-24-20(14(2)21(27)25(13)22)28-11-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 408.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18919194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).