(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one

C16H11FN4OS — CID 94571988

IUPAC(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2csnn2)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN4OS/c17-10-5-7-11(8-6-10)21-15(14-9-23-20-19-14)18-13-4-2-1-3-12(13)16(21)22/h1-9,15,18H/t15-/m1/s1
InChIKeyCAGUVFYTWHCLRJ-OAHLLOKOSA-N
MW326.36 g/mol
LogP3.45
Rot. Bonds2

About (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 94571988) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID94571988
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2csnn2)N1c1ccc(F)cc1
InChIInChI=1S/C16H11FN4OS/c17-10-5-7-11(8-6-10)21-15(14-9-23-20-19-14)18-13-4-2-1-3-12(13)16(21)22/h1-9,15,18H/t15-/m1/s1
InChIKeyCAGUVFYTWHCLRJ-OAHLLOKOSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 94571988) is (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2csnn2)N1c1ccc(F)cc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is CAGUVFYTWHCLRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11FN4OS/c17-10-5-7-11(8-6-10)21-15(14-9-23-20-19-14)18-13-4-2-1-3-12(13)16(21)22/h1-9,15,18H/t15-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 326.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 94571988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).