3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one

C20H13FN4OS2 — CID 2998084

IUPAC3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H13FN4OS2/c21-13-5-7-15(8-6-13)25-18(26)16-3-1-2-4-17(16)23-20(25)28-12-14-11-24-9-10-27-19(24)22-14/h1-11H,12H2
InChIKeyURRIRPULKIRWEB-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.53
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one

3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 2998084) has the molecular formula C20H13FN4OS2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
PubChem CID2998084
Molecular FormulaC20H13FN4OS2
Molecular Weight408.48 g/mol
Exact Mass408.05
IUPAC Name3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H13FN4OS2/c21-13-5-7-15(8-6-13)25-18(26)16-3-1-2-4-17(16)23-20(25)28-12-14-11-24-9-10-27-19(24)22-14/h1-11H,12H2
InChIKeyURRIRPULKIRWEB-UHFFFAOYSA-N
XLogP4.53
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide
CID 25233239
N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886311
2-amino-4-fluoro-5-(1-methyl-1H-imidazol-2-ylthio)-N-(4-methylthiazol-2-yl)benzamide
CID 54586307
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572034
6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 2759102
3-(2-Fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
CID 2998707

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one (CID 2998084) is 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is URRIRPULKIRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4OS2/c21-13-5-7-15(8-6-13)25-18(26)16-3-1-2-4-17(16)23-20(25)28-12-14-11-24-9-10-27-19(24)22-14/h1-11H,12H2.
What are the key properties of 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one?
3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 408.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 2998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).