3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one

C19H14FN3O2S — CID 16624807

IUPAC3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN3O2S/c20-13-5-7-15(8-6-13)25-10-18-22-14(11-26-18)9-23-12-21-17-4-2-1-3-16(17)19(23)24/h1-8,11-12H,9-10H2
InChIKeyVGFWKSOAGIMKEG-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.62
Rot. Bonds5

About 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one

3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 16624807) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID16624807
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN3O2S/c20-13-5-7-15(8-6-13)25-10-18-22-14(11-26-18)9-23-12-21-17-4-2-1-3-16(17)19(23)24/h1-8,11-12H,9-10H2
InChIKeyVGFWKSOAGIMKEG-UHFFFAOYSA-N
XLogP3.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 16624807) is 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is VGFWKSOAGIMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-13-5-7-15(8-6-13)25-10-18-22-14(11-26-18)9-23-12-21-17-4-2-1-3-16(17)19(23)24/h1-8,11-12H,9-10H2.
What are the key properties of 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 367.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 16624807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).