3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one

C16H8FN5OS — CID 46197652

IUPAC3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=c1nc2c(-c3nc4ccccc4s3)n[nH]n2c2ccc(F)cc12
InChIInChI=1S/C16H8FN5OS/c17-8-5-6-11-9(7-8)15(23)19-14-13(20-21-22(11)14)16-18-10-3-1-2-4-12(10)24-16/h1-7,21H
InChIKeyMUBGPGJSZKWZNG-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.99
Rot. Bonds1

About 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one

3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 46197652) has the molecular formula C16H8FN5OS and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one
PubChem CID46197652
Molecular FormulaC16H8FN5OS
Molecular Weight337.34 g/mol
Exact Mass337.04
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=c1nc2c(-c3nc4ccccc4s3)n[nH]n2c2ccc(F)cc12
InChIInChI=1S/C16H8FN5OS/c17-8-5-6-11-9(7-8)15(23)19-14-13(20-21-22(11)14)16-18-10-3-1-2-4-12(10)24-16/h1-7,21H
InChIKeyMUBGPGJSZKWZNG-UHFFFAOYSA-N
XLogP2.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one
CID 22424585
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole
CID 132941987
N-(2,4-dichlorophenyl)-7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
CID 29139488
2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]aniline
CID 110826350
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one
CID 18730858
7-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N,7-N-bis(4-fluorophenyl)-2-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 170266724
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
CID 134126886
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757550
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole
CID 132527612

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one (CID 46197652) is 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one is O=c1nc2c(-c3nc4ccccc4s3)n[nH]n2c2ccc(F)cc12.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one?
The InChIKey is MUBGPGJSZKWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8FN5OS/c17-8-5-6-11-9(7-8)15(23)19-14-13(20-21-22(11)14)16-18-10-3-1-2-4-12(10)24-16/h1-7,21H.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one?
3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 337.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-fluoro-1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 46197652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).