6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

C16H14FN3O2S — CID 167829329

IUPAC6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2ncn1Cc1csc(C2CCCO2)n1
InChIInChI=1S/C16H14FN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h3-4,6,8-9,14H,1-2,5,7H2
InChIKeyTVYRFYJZGBWUSM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.89
Rot. Bonds3

About 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 167829329) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID167829329
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2ncn1Cc1csc(C2CCCO2)n1
InChIInChI=1S/C16H14FN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h3-4,6,8-9,14H,1-2,5,7H2
InChIKeyTVYRFYJZGBWUSM-UHFFFAOYSA-N
XLogP2.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 167829329) is 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is O=c1c2cc(F)ccc2ncn1Cc1csc(C2CCCO2)n1.
What is the InChIKey of 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is TVYRFYJZGBWUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h3-4,6,8-9,14H,1-2,5,7H2.
What are the key properties of 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 331.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 167829329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).