7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H18FN3O2S — CID 51113615

IUPAC7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3cccc(OCc4ccc(F)cc4)c3)cc(=O)n12
InChIInChI=1S/C21H18FN3O2S/c1-14-13-28-21-24-18(10-20(26)25(14)21)11-23-17-3-2-4-19(9-17)27-12-15-5-7-16(22)8-6-15/h2-10,13,23H,11-12H2,1H3
InChIKeyLANFVRMFYWIOCY-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.39
Rot. Bonds6

About 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51113615) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51113615
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CNc3cccc(OCc4ccc(F)cc4)c3)cc(=O)n12
InChIInChI=1S/C21H18FN3O2S/c1-14-13-28-21-24-18(10-20(26)25(14)21)11-23-17-3-2-4-19(9-17)27-12-15-5-7-16(22)8-6-15/h2-10,13,23H,11-12H2,1H3
InChIKeyLANFVRMFYWIOCY-UHFFFAOYSA-N
XLogP4.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 46258458
(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 51694699
7-[(3-bromo-4-methylanilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42888721
methyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate
CID 17424702
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
7-[(9H-fluoren-2-ylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 134062848
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 55373889
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(3-fluorobenzoyl)amino]benzoate
CID 46343476
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 51171261
N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118017682
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate
CID 7843292

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51113615) is 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CNc3cccc(OCc4ccc(F)cc4)c3)cc(=O)n12.
What is the InChIKey of 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LANFVRMFYWIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-14-13-28-21-24-18(10-20(26)25(14)21)11-23-17-3-2-4-19(9-17)27-12-15-5-7-16(22)8-6-15/h2-10,13,23H,11-12H2,1H3.
What are the key properties of 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 395.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(4-fluorophenyl)methoxy]anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51113615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).