2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one

C16H13N3OS — CID 21090613

IUPAC2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
SMILESNc1ccc(C2SC3=Nc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C16H13N3OS/c17-12-7-5-10(6-8-12)14-15(20)19-9-11-3-1-2-4-13(11)18-16(19)21-14/h1-8,14H,9,17H2
InChIKeySYTGQAFILIUMTC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.09
Rot. Bonds1

About 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one

2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one (PubChem CID 21090613) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
PubChem CID21090613
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
SMILESNc1ccc(C2SC3=Nc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C16H13N3OS/c17-12-7-5-10(6-8-12)14-15(20)19-9-11-3-1-2-4-13(11)18-16(19)21-14/h1-8,14H,9,17H2
InChIKeySYTGQAFILIUMTC-UHFFFAOYSA-N
XLogP3.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one
CID 71605339
5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005273
3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol
CID 58819985
4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
CID 11780737
2-chloro-3-phenyl-4H-quinazoline
CID 174952978
1-cyclohexyl-3,6-dihydro-2H-pyrimido[2,1-b]quinazolin-4-one
CID 10902113
ethyl (2S,5S)-7-methyl-3-oxo-2,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 51857790
5-(4-aminophenyl)cyclohexane-1,3-dione
CID 51063687
2-methyl-3-(2-methylphenyl)-4H-quinazoline
CID 174924725
2-azido-N-[(8S)-9-oxo-6,7,8,11-tetrahydropyrido[2,1-b]quinazolin-8-yl]benzamide
CID 46210399
3,4-dihydroquinoline-3-carboxamide
CID 54448978
2-(4-aminophenyl)-4H-chromen-3-one
CID 70503368

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The IUPAC name of 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one (CID 21090613) is 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one.
What is the SMILES notation for 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The canonical SMILES for 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one is Nc1ccc(C2SC3=Nc4ccccc4CN3C2=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The InChIKey is SYTGQAFILIUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-12-7-5-10(6-8-12)14-15(20)19-9-11-3-1-2-4-13(11)18-16(19)21-14/h1-8,14H,9,17H2.
What are the key properties of 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one has a molecular weight of 295.37 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one is sourced from PubChem (CID 21090613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).