6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one

C11H6FN3OS — CID 154805156

IUPAC6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cncs2)nc2ccc(F)cc12
InChIInChI=1S/C11H6FN3OS/c12-6-1-2-8-7(3-6)11(16)15-10(14-8)9-4-13-5-17-9/h1-5H,(H,14,15,16)
InChIKeyPASPONORFQFFOG-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.19
Rot. Bonds1

About 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one

6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one (PubChem CID 154805156) has the molecular formula C11H6FN3OS and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
PubChem CID154805156
Molecular FormulaC11H6FN3OS
Molecular Weight247.25 g/mol
Exact Mass247.02
IUPAC Name6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cncs2)nc2ccc(F)cc12
InChIInChI=1S/C11H6FN3OS/c12-6-1-2-8-7(3-6)11(16)15-10(14-8)9-4-13-5-17-9/h1-5H,(H,14,15,16)
InChIKeyPASPONORFQFFOG-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one (CID 154805156) is 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cncs2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The InChIKey is PASPONORFQFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3OS/c12-6-1-2-8-7(3-6)11(16)15-10(14-8)9-4-13-5-17-9/h1-5H,(H,14,15,16).
What are the key properties of 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one?
6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one has a molecular weight of 247.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,3-thiazol-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 154805156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).