5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one

C22H17FN2OS — CID 3008096

IUPAC5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)N1C(c3ccccc3)=CSC1=N2
InChIInChI=1S/C22H17FN2OS/c23-16-11-9-15(10-12-16)21-20-17(7-4-8-19(20)26)24-22-25(21)18(13-27-22)14-5-2-1-3-6-14/h1-3,5-6,9-13,21H,4,7-8H2
InChIKeyDRHKHYMXNJHSQP-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.29
Rot. Bonds2

About 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one

5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one (PubChem CID 3008096) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one
PubChem CID3008096
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)N1C(c3ccccc3)=CSC1=N2
InChIInChI=1S/C22H17FN2OS/c23-16-11-9-15(10-12-16)21-20-17(7-4-8-19(20)26)24-22-25(21)18(13-27-22)14-5-2-1-3-6-14/h1-3,5-6,9-13,21H,4,7-8H2
InChIKeyDRHKHYMXNJHSQP-UHFFFAOYSA-N
XLogP5.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one (CID 3008096) is 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one is O=C1CCCC2=C1C(c1ccc(F)cc1)N1C(c3ccccc3)=CSC1=N2.
What is the InChIKey of 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one?
The InChIKey is DRHKHYMXNJHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c23-16-11-9-15(10-12-16)21-20-17(7-4-8-19(20)26)24-22-25(21)18(13-27-22)14-5-2-1-3-6-14/h1-3,5-6,9-13,21H,4,7-8H2.
What are the key properties of 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one?
5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one has a molecular weight of 376.46 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-6-one is sourced from PubChem (CID 3008096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).