8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C22H19FN2O3S — CID 18918945

IUPAC8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCS2
InChIInChI=1S/C22H19FN2O3S/c1-14-20(24-22-25(21(14)27)11-2-12-29-22)28-13-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10H,2,11-13H2,1H3
InChIKeyAWUJJJOYTQUUJC-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.00
Rot. Bonds5

About 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 18918945) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID18918945
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCS2
InChIInChI=1S/C22H19FN2O3S/c1-14-20(24-22-25(21(14)27)11-2-12-29-22)28-13-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10H,2,11-13H2,1H3
InChIKeyAWUJJJOYTQUUJC-UHFFFAOYSA-N
XLogP4.00
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 18918945) is 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is AWUJJJOYTQUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-14-20(24-22-25(21(14)27)11-2-12-29-22)28-13-15-3-5-16(6-4-15)19(26)17-7-9-18(23)10-8-17/h3-10H,2,11-13H2,1H3.
What are the key properties of 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 410.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 18918945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).